BaY16Si4O33 containing Ba(SiO4)4 orthosilicates

Motozawa, S.; Kimura, H.; Takahashi, J.; Simura, R.; Yamane, H.

doi:10.1107/S2056989022011057

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ISSN: 2056-9890

Volume 78| Part 12| December 2022| Pages 1249-1252

https://doi.org/10.1107/S2056989022011057

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BaY₁₆Si₄O₃₃ containing Ba(SiO₄)₄ orthosilicates

Shuto Motozawa,^a,^b Hiromitsu Kimura,^c Junichi Takahashi,^a Rayko Simura ^a and Hisanori Yamane ^a ^*

^aInstitute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira 2-1-1 Aoba-ku, Sendai 980-8577, Japan, ^bDepartment of Metallurgy, Materials Science and Materials Processing, Graduate School of Engineering, Tohoku University, 6-6-4 Aramaki Aza Aoba, Aoba-ku, Sendai 980-8579, Japan, and ^cScience & Innovation Center, Inorganic Materials Laboratory, Mitsubishi Chemical Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-8502, Japan
^*Correspondence e-mail: hisanori.yamane.a1@tohoku.ac.jp

Edited by S. Parkin, University of Kentucky, USA (Received 2 November 2022; accepted 17 November 2022; online 30 November 2022)

Single crystals of a new quaternary oxide, barium hexadecayttrium tetrasilicon tritriacontaoxide, BaY₁₆Si₄O₃₃, were obtained from a melt-solidified sample prepared by heating a mixture of BaCO₃, Y₂O₃, and SiO₂ at 2073 K. X-ray crystal structure analysis revealed that Ba(SiO₄)₄ orthosilicate clusters in which a Ba atom is surrounded by four SiO₄ tetrahedra were isolated in a framework composed of Y and O in the structure of BaY₁₆Si₄O₃₃. The dielectric constant measured for polycrystalline ceramics of BaY₁₆Si₄O₃₃ sintered at 1953 K was 13 (298 K, 1 MHz), and the thermal expansion coefficient was 8.70 × 10 ⁻⁶ K⁻¹ (298–873 K), which are close to the values previously reported for Y₂O₃.

Keywords: barium yttrium silicon oxide; crystal structure; orthosilicate; dielectric properties; thermal expansion.

CCDC reference: 2220459

1. Chemical context

Numerous silicates in minerals and ceramic materials have been studied (Liebau, 1985 ). Silicates have also attracted attention as host materials for phosphors because of their structural diversity and stability (Gupta et al., 2021 , Singh et al., 2017 ). In the Ba–Y–Si–O system, BaY₂Si₃O₁₀, Ba₉Y₂Si₆O₂₄, BaY₄Si₅O₁₇, Ba_5.2Y₁₃Si₈O₄₁, and Ba₂Y₂Si₄O₁₃ have been reported. Among these oxides, phosphors based on Pr³⁺, Sm³⁺, Er³⁺, Ce³⁺, Tb³⁺, and Eu³⁺ doping of BaY₂Si₃O₁₀ (Wierzbicka-Wieczorek et al., 2015 ; Xia et al., 2014 ; Zhou & Xia, 2015 ; Liu et al., 2009 ), Pr³⁺, Sm³⁺, Er³⁺, and Ho³⁺ doping of BaY₄Si₅O₁₇ (Wierzbicka-Wieczorek et al., 2015), Ce³⁺ doping of Ba₉Y₂Si₆O₂₄ (Liu et al., 2015 ; Brgoch et al., 2013 ), and Bi³⁺ and Eu³⁺ doping of Ba₂Y₂Si₄O₁₃ (Song et al., 2019 ) as activator ions have been studied. Recently, BaY₂Si₃O₁₀ has been investigated for its potential application as a microwave dielectric material for 5G communication devices (Lin et al., 2020 ). In the present study, we found a new quaternary oxide, BaY₁₆Si₄O₃₃, with a Y₂O₃ content greater than that of previously reported compounds in the Ba–Y–Si–O system.

The dielectric constants measured at 100 Hz and 1 MHz for BaY₁₆Si₄O₃₃ ceramics at 298 K were 14 and 13, respectively, and the dielectric loss was less than 0.01 (Figs. S1 and S2). These dielectric constants are close to the value reported for Y₂O₃ ceramics (12; Tsukuda, 1980 ) and the values measured for Y₂O₃ fabricated by oxidation of Y metal on Si substrates (17–20; Manchanda & Gurvitch, 1988 ). The temperature coefficient of the dielectric constant at 298–413 K was 3.5 × 10 ⁻³ K⁻¹. The thermal expansion coefficient measured for the polycrystalline BaY₁₆Si₄O₃₃ in the temperature range 298–873 K was 8.7 × 10 ⁻⁶ K⁻¹ (Fig. S3). This value is in good agreement with the thermal expansion coefficient of Y₂O₃ of 8.5 × 10 ⁻⁶ K⁻¹ in the temperature range 298–1272 K (Kirchner, 1964 ). In BaY₁₆Si₄O₃₃, the portion of Y–O frameworks in the crystal structure is large, which might be related to the fact that the dielectric constant and thermal expansion coefficient of BaY₁₆Si₄O₃₃ and Y₂O₃ are similar to each other.

2. Structural commentary

The literature contains no reports of silicates or other oxides with the same structure as BaY₁₆Si₄O₃₃. In the crystal structure of BaY₁₆Si₄O₃₃, clusters composed of a Ba atom surrounded by four isolated SiO₄ tetrahedra are isolated in a three-dimensional framework formed by 16 Y sites with six- or sevenfold coordination to oxygen atoms within an interatomic distance of 2.65 Å (Figs. 1 and 2). BaY₁₆Si₄O₃₃ has a large portion of Y in the cation sites, and more than one-half of the oxygen atoms are not bonded to Si. Thus, BaY₁₆Si₄O₃₃ can be expressed as an oxide silicate with the formula Y₁₆O₁₇Ba(SiO₄)₄.

Figure 1
The atomic arrangement of BaY₁₆Si₄O₃₃ depicted with displacement ellipsoids at the 80% probability level. [Symmetry codes: (i) −x, y − $[{1\over 2}]$ , −z + $[{1\over 2}]$ ; (ii) x − 1, y, z; (iii) x, −y + $[{1\over 2}]$ , z − $[{1\over 2}]$ ; (iv) −x, y + $[{1\over 2}]$ , −z + $[{1\over 2}]$ ; (v) −x + 1, y + $[{1\over 2}]$ , −z + $[{1\over 2}]$ ; (vi) −x, −y + 1, −z + 1; (vii) −x + 1, y − $[{1\over 2}]$ , −z + $[{1\over 2}]$ ; (viii) −x + 1, −y + 1, −z; (ix) −x + 1, −y, −z; (x) x, y − 1, z.]

Figure 2
A polyhedral representation of BaY₁₆Si₄O₃₃ showing the Y-centered oxygen polyhedra (yellow) and the Ba-centered oxygen polyhedra (green) surrounded by isolated Si-centered oxygen tetrahedra (blue).

The Si—O bond lengths for the SiO₄ tetrahedra range from 1.6198 (17) to 1.6596 (18) Å (Table 1). Bond-valence sums (BVSs) of 3.85 to 4.01, which are similar to the Si formal valence of IV, were calculated using the bond-valence parameter of Gagné & Hawthorne (2015 ). Ba1 is coordinated by twelve oxygen atoms of four SiO₄ tetrahedra with Ba1—O distances ranging from 2.7478 (18) to 3.274 (2) Å. The BVS for Ba1 is 2.10, which is close to the formal Ba valence of II.

Table 1
Selected bond lengths (Å)

Ba1—O17	2.7478 (17)	Y9—O17	2.3963 (17)
Ba1—O11ⁱ	2.7696 (19)	Y9—O14	2.4017 (17)
Ba1—O19	2.7793 (17)	Y10—O16	2.1430 (16)
Ba1—O14	2.8395 (17)	Y10—O26	2.2131 (16)
Ba1—O32ⁱⁱ	2.8661 (18)	Y10—O21	2.2207 (16)
Ba1—O8	2.9444 (17)	Y10—O25	2.3482 (16)
Ba1—O3	2.9600 (17)	Y10—O14	2.4055 (16)
Ba1—O5	3.0333 (18)	Y10—O19	2.4223 (16)
Ba1—O4ⁱ	3.0551 (19)	Y11—O20	2.2790 (16)
Ba1—O12	3.1141 (18)	Y11—O16	2.2876 (16)
Ba1—O2ⁱ	3.1369 (19)	Y11—O28^ix	2.3342 (16)
Ba1—O31ⁱⁱ	3.274 (2)	Y11—O23	2.3374 (16)
Y1—O16	2.2005 (16)	Y11—O9	2.3637 (16)
Y1—O33ⁱⁱ	2.2170 (16)	Y11—O26	2.3799 (16)
Y1—O7ⁱ	2.2498 (16)	Y11—O30	2.5071 (16)
Y1—O9	2.3055 (16)	Y12—O24	2.1194 (16)
Y1—O1ⁱⁱⁱ	2.3079 (16)	Y12—O28	2.1921 (16)
Y1—O3	2.5694 (17)	Y12—O29	2.2564 (16)
Y2—O15	2.1496 (16)	Y12—O25	2.2959 (16)
Y2—O13^iv	2.1736 (16)	Y12—O19	2.4673 (17)
Y2—O10	2.2282 (16)	Y12—O17	2.4859 (17)
Y2—O6^iv	2.3233 (17)	Y13—O27	2.2879 (16)
Y2—O5	2.3485 (17)	Y13—O26	2.2892 (16)
Y2—O2ⁱ	2.5253 (18)	Y13—O15^ix	2.3290 (16)
Y3—O7	2.2297 (16)	Y13—O10^ix	2.3466 (16)
Y3—O7^v	2.2436 (17)	Y13—O29	2.3585 (16)
Y3—O9^vi	2.2546 (16)	Y13—O23	2.4039 (16)
Y3—O1^v	2.2620 (16)	Y13—O18	2.4563 (17)
Y3—O28^vii	2.3197 (17)	Y14—O20^x	2.2389 (15)
Y3—O8^v	2.4654 (17)	Y14—O33	2.2856 (16)
Y4—O1^iv	2.1898 (16)	Y14—O7^ix	2.2879 (16)
Y4—O29^viii	2.2225 (16)	Y14—O24ⁱⁱⁱ	2.3189 (16)
Y4—O10	2.2772 (16)	Y14—O20	2.3499 (16)
Y4—O11	2.2894 (19)	Y14—O28ⁱⁱⁱ	2.3810 (16)
Y4—O6^iv	2.3810 (17)	Y14—O30	2.5306 (16)
Y4—O12^iv	2.4084 (17)	Y15—O33	2.2050 (16)
Y5—O9	2.1569 (16)	Y15—O27ⁱⁱⁱ	2.2231 (16)
Y5—O13	2.2115 (15)	Y15—O24ⁱⁱⁱ	2.2812 (16)
Y5—O23	2.2252 (16)	Y15—O21	2.3529 (16)
Y5—O18	2.3281 (16)	Y15—O29ⁱⁱⁱ	2.3660 (16)
Y5—O32^ix	2.3295 (17)	Y15—O31	2.4990 (19)
Y5—O5ⁱ	2.4652 (18)	Y15—O4^ix	2.5259 (19)
Y6—O10	2.1976 (16)	Y16—O27ⁱⁱⁱ	2.1983 (16)
Y6—O33^viii	2.2074 (16)	Y16—O13^viii	2.2097 (16)
Y6—O26^viii	2.2225 (16)	Y16—O22^xi	2.3185 (16)
Y6—O31^viii	2.3284 (18)	Y16—O22	2.3304 (16)
Y6—O30^viii	2.3395 (17)	Y16—O15^xi	2.3343 (16)
Y6—O3^iv	2.4547 (17)	Y16—O2^ix	2.5198 (18)
Y7—O24	2.2120 (16)	Y16—O32	2.6127 (17)
Y7—O20^vi	2.2383 (16)	Si1—O4ⁱ	1.6218 (19)
Y7—O16^vi	2.2964 (16)	Si1—O6ⁱⁱⁱ	1.6274 (17)
Y7—O1	2.3113 (16)	Si1—O14	1.6423 (18)
Y7—O21^vi	2.3455 (16)	Si1—O2ⁱ	1.6428 (18)
Y7—O8	2.5336 (17)	Si2—O18	1.6205 (17)
Y7—O12	2.6233 (17)	Si2—O19	1.6356 (17)
Y8—O21^vi	2.2060 (16)	Si2—O3	1.6422 (18)
Y8—O27	2.2339 (16)	Si2—O12	1.6441 (18)
Y8—O13	2.2527 (16)	Si3—O30^viii	1.6198 (17)
Y8—O22^vi	2.2630 (16)	Si3—O8	1.6277 (17)
Y8—O18	2.3772 (16)	Si3—O17	1.6505 (17)
Y8—O6	2.3887 (17)	Si3—O5	1.6596 (18)
Y9—O15	2.1739 (16)	Si4—O31	1.6201 (18)
Y9—O23^viii	2.1745 (16)	Si4—O11^ix	1.621 (2)
Y9—O22	2.2201 (16)	Si4—O32	1.6240 (17)
Y9—O25	2.2847 (16)	Si4—O25	1.6276 (17)
Symmetry codes: (i) $[-x, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) ; (iii) $[x, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (iv) $[-x, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (v) ; (vi) $[x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (vii) ; (viii) $[-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ix) $[-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (x) ; (xi) .

The respective average distances between the sixfold-coordinated Y1–6, Y8–10, and Y12 sites and oxygen are between 2.275 and 2.308 Å, which are approximately equal to the Y1—O1 distance [2.2847 (11) Å] and Y2—O1 average distance (2.282 Å) for sixfold Y coordination reported for Y₂O₃ (Coduri et al., 2013 ). The respective average distances between oxygen atoms and sevenfold-coordinated Y7, Y11, Y13, and Y14–16 are 2.342–2.366 Å, which are close to the Y2—O average distance of 2.360 Å reported for sevenfold-coordinated Y in the structure of Y₂SiO₅ (Denault et al., 2015 ). The BVSs ranged from 2.77 to 2.97, close to the Y valence of III.

The Madelung part of the lattice energy (MAPLE; Hoppe, 1970 ) for BaY₁₆Si₄O₃₃, as calculated using the VESTA software (Momma & Izumi, 2011 ), is −186,000 kJ mol⁻¹. The difference between the MAPLE for BaY₁₆Si₄O₃₃ and the sum of the MAPLEs (−186,999 kJ·mol⁻¹) for binary oxides with the formula BaY₁₆Si₄O₃₃ (= BaO + 8 Y₂O₃ + 4SiO₂) {BaO [−3,511 kJ mol⁻¹ (Zollweg, 1955 )], Y₂O₃ [−15,287 kJ mol⁻¹ (Coduri et al., 2013)], SiO₂ [−15,298 kJ mol⁻¹ (Smith & Alexander, 1963 )]} is 0.5%.

3. Database survey

The ICSD database (ICSD, 2022 ) contains crystal-structure data for BaY₂Si₃O₁₀ (space group P12₁/m1) (Kolitsch et al., 2006 ; Shi et al., 2018 ), Ba₉Y₂Si₆O₂₄ (space group R $[\overline{3}]$ ) (Brgoch et al., 2013) and BaY₄Si₅O₁₇ (space group P12₁/m1) (Wierzbicka-Wieczorek et al., 2015). Lattice constants and space group I $[\overline{4}]$ 2m were reported for Ba_5.2Y₁₃Si₈O₄₁ (Wierzbicka-Wieczorek et al., 2011 ). For Ba₂Y₂Si₄O₁₃, the structure was described as isomorphic to Ba₂Gd₂Si₄O₁₃ (space group C12/c1), but lattice parameters were not reported (Song et al., 2019).

4. Synthesis and crystallization

BaCO₃ (98% purity, Hakushin Chemical Laboratory), Y₂O₃ (99.99% purity, Shin-Etsu Chemical), and SiO₂ (99.999% purity, Mitsuwa Chemicals) were used as starting materials. Each powder was heated at 1273 K for 5 h and kept in an oven at 453 K. The powders were weighed in a molar ratio of Ba:Y:Si = 1:16:4 and mixed in an agate mortar; the mixed powder was then placed in a mold and formed into disks 5 mm in diameter by uniaxial pressing at ∼60 MPa. The disk was crumbled, and pieces of the fragment were placed on a Pt–Rh plate that was, in turn, placed in an alumina crucible with a lid. The crucible was heated in an electric furnace to 1373 K in air for 3 h; the furnace temperature was then raised from 1373 to 2073 K over a period of 4 h and held at this temperature for 0.5 h. The sample was cooled to room temperature, and a solidified melt was obtained. The sample was crushed, and single crystals were collected from the resulting fragments.

The sample used for powder X-ray diffraction (XRD) analysis was prepared by weighing and mixing the starting materials to obtain a stoichiometric composition of BaY₁₆Si₄O₃₃ (Ba:Y:Si molar ratio = 1:16:4). The powder was compacted into a disk shape and heated in an electric furnace from room temperature to 1373 K over a period of 3 h, heated from 1373 to 1793 K over a period of 3 h, maintained at this temperature for 24 h, and then cooled. The resultant polycrystalline ceramic of BaY₁₆Si₄O₃₃ was ground in an agate mortar to obtain a powdered sample. The powder XRD pattern was recorded at room temperature using a powder X-ray diffractometer (Bruker AXS, D2PHASER; Fig. S4) equipped with a Cu Kα radiation (λ = 1.5418 Å) source. Diffraction patterns were recorded in the diffraction-angle range 5° ≤ 2θ ≤ 140° with a step interval of 0.025° and a measurement time of 8 s step⁻¹. The obtained XRD pattern was analyzed by the Rietveld method with the program TOPAS (Bruker, 2009 ) using the model determined by single-crystal X-ray structure analysis (Fig. S4 and Table S1) (R_wp = 3.03%, R_B = 0.752%). The refined lattice constants [a = 9.11234 (8) Å, b = 18.73111 (19) Å, c = 18.31827 (17) Å, β = 109.0441 (7)°] and atomic positions were close to those obtained from the single-crystal structure analysis (Table S2). The composition of BaO: 8.5 (4), Y₂O₃: 81 (1), SiO₂: 10.6 (2) mass%, which is approximately consistent with the formula BaY₁₆Si₄O₃₃ (BaO: 7.0, Y₂O₃: 82.1, SiO₂: 10.9 mass%), was determined by electron-probe microanalysis (EPMA, JEOL A-8200) using a surface-polished and carbon-coated ceramic sample.

Polycrystalline ceramic samples for measurements of the thermal expansion coefficients and dielectric constants were prepared by heating compacted disks of the starting powder mixture with a stoichiometric metal ratio Ba:Y:Si = 1:16:4 at 1793 K for 24 h. The obtained disks were pulverized, and the powder was compacted and heated again under the same conditions. The resultant disks were pulverized and then compacted into a cuboid for measurement of their thermal expansion coefficient and into a disk shape for measurement of their dielectric constant. These compacts were heated at 1953 K for 12 h. The thermal expansion coefficient was measured using a dilatometer (Netzsch Japan, TD5000SA). The capacitance C and dielectric loss tan δ were measured using an LCR meter (HIOKI, IM3536) for the disk sample (96% relative density) with Au electrodes prepared by baking Au paste at 800°C.

5. Refinement

Crystal data, data collection and structure refinement details are summarized in Table 2. Atomic coordinates, equivalent isotropic displacement parameters and anisotropic displacement parameters are given in the supporting information.

Table 2
Experimental details

Crystal data
Chemical formula	BaY₁₆Si₄O₃₃
M_r	2200.26
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	300
a, b, c (Å)	9.1095 (2), 18.7306 (4), 18.3105 (4)
β (°)	109.008 (1)
V (Å³)	2953.90 (11)
Z	4
Radiation type	Mo Kα
μ (mm⁻¹)	32.60
Crystal size (mm)	0.09 × 0.08 × 0.04

Data collection
Diffractometer	Bruker APEXII CCD
Absorption correction	Multi-scan (SADABS; Krause et al., 2015 )
T_min, T_max	0.037, 0.094
No. of measured, independent and observed [I > 2σ(I)] reflections	128151, 8279, 7469
R_int	0.054
(sin θ/λ)_max (Å⁻¹)	0.694

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.016, 0.034, 1.07
No. of reflections	8279
No. of parameters	488
Δρ_max, Δρ_min (e Å⁻³)	0.76, −0.90
Computer programs: BIS (Bruker, 2018 ), APEX3 (Bruker, 2018), SAINT (Bruker, 2018), SHELXT2015 (Sheldrick, 2015a ), SHELXL2015 (Sheldrick, 2015b ), and VESTA (Momma & Izumi, 2011)

Supporting information

CCDC reference: 2220459

Crystal structure: contains datablocks global, I. DOI: https://doi.org/10.1107/S2056989022011057/pk2673sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S2056989022011057/pk2673Isup2.hkl

Supplementary_data. DOI: https://doi.org/10.1107/S2056989022011057/pk2673sup3.pdf

Rietveld Results. DOI: https://doi.org/10.1107/S2056989022011057/pk2673sup4.txt

checkCIF report

Computing details top

Data collection: BIS (Bruker, 2018); cell refinement: APEX3 (Bruker, 2018); data reduction: SAINT (Bruker, 2018); program(s) used to solve structure: SHELXT2015 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2015 (Sheldrick, 2015b); molecular graphics: VESTA (Momma & Izumi, 2011).

Barium hexadecayttrium tetrasilicon tritriacontaoxide top

Crystal data top

BaY₁₆Si₄O₃₃	F(000) = 4000
M_r = 2200.26	D_x = 4.948 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
a = 9.1095 (2) Å	Cell parameters from 120 reflections
b = 18.7306 (4) Å	θ = 6.9–30.7°
c = 18.3105 (4) Å	µ = 32.60 mm⁻¹
β = 109.008 (1)°	T = 300 K
V = 2953.90 (11) Å³	Prismatic, translucent colourless
Z = 4	0.09 × 0.08 × 0.04 mm

Data collection top

Bruker APEXII CCD diffractometer	8279 independent reflections
Radiation source: micro focus sealed tube	7469 reflections with I > 2σ(I)
Detector resolution: 7.3910 pixels mm^-1	R_int = 0.054
φ and ω scans	θ_max = 29.6°, θ_min = 2.2°
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	h = −12→12
T_min = 0.037, T_max = 0.094	k = −26→26
128151 measured reflections	l = −25→25

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	w = 1/[σ²(F_o²) + (0.0053P)² + 3.9938P] where P = (F_o² + 2F_c²)/3
R[F² > 2σ(F²)] = 0.016	(Δ/σ)_max = 0.002
wR(F²) = 0.034	Δρ_max = 0.76 e Å⁻³
S = 1.07	Δρ_min = −0.90 e Å⁻³
8279 reflections	Extinction correction: SHELXL-2017/1 (Sheldrick 2015b)
488 parameters	Extinction coefficient: 0.000458 (14)

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Ba1	0.05096 (2)	0.34871 (2)	0.21348 (2)	0.01140 (3)
Y1	0.02577 (3)	0.14161 (2)	0.08564 (2)	0.00889 (4)
Y2	0.04208 (3)	0.55228 (2)	0.10929 (2)	0.00978 (4)
Y3	0.06456 (3)	0.54810 (2)	0.58895 (2)	0.00912 (4)
Y4	0.07501 (3)	0.75067 (2)	0.11164 (2)	0.00919 (4)
Y5	0.21458 (3)	0.03182 (2)	0.28469 (2)	0.00892 (4)
Y6	0.21892 (3)	0.65949 (2)	0.30143 (2)	0.00932 (4)
Y7	0.28387 (3)	0.34616 (2)	0.47068 (2)	0.00820 (4)
Y8	0.33165 (3)	0.14258 (2)	0.46043 (2)	0.00887 (4)
Y9	0.39522 (3)	0.44733 (2)	0.15331 (2)	0.00900 (4)
Y10	0.40049 (3)	0.24990 (2)	0.14656 (2)	0.00889 (4)
Y11	0.40726 (3)	0.05855 (2)	0.14981 (2)	0.00802 (4)
Y12	0.52776 (3)	0.34670 (2)	0.33477 (2)	0.00940 (4)
Y13	0.59233 (3)	0.13725 (2)	0.33939 (2)	0.00793 (4)
Y14	0.65146 (2)	0.06006 (2)	0.01018 (2)	0.00798 (4)
Y15	0.65622 (3)	0.24911 (2)	0.01128 (2)	0.00842 (4)
Y16	0.68494 (2)	0.45394 (2)	0.02227 (2)	0.00852 (4)
Si1	0.04708 (7)	0.35119 (3)	0.04451 (4)	0.00844 (11)
Si2	0.21185 (7)	0.21283 (3)	0.29091 (4)	0.00787 (11)
Si3	0.21308 (7)	0.47988 (3)	0.30422 (4)	0.00811 (11)
Si4	0.71110 (7)	0.34341 (3)	0.20491 (4)	0.00886 (11)
O1	0.02416 (19)	0.34345 (8)	0.46027 (9)	0.0087 (3)
O2	0.0293 (2)	0.92849 (10)	0.44535 (11)	0.0184 (4)
O3	0.0538 (2)	0.19082 (9)	0.22050 (10)	0.0140 (3)
O4	0.0610 (2)	0.78439 (10)	0.44866 (11)	0.0197 (4)
O5	0.0615 (2)	0.50967 (10)	0.23272 (10)	0.0155 (3)
O6	0.0702 (2)	0.15333 (9)	0.46016 (9)	0.0121 (3)
O7	0.09118 (19)	0.54121 (9)	0.47234 (9)	0.0106 (3)
O8	0.1498 (2)	0.42907 (9)	0.35965 (10)	0.0123 (3)
O9	0.15764 (19)	0.04903 (8)	0.16211 (9)	0.0096 (3)
O10	0.16254 (19)	0.64694 (8)	0.17595 (9)	0.0097 (3)
O11	0.1635 (2)	0.83162 (11)	0.20990 (11)	0.0241 (4)
O12	0.1654 (2)	0.25295 (9)	0.36021 (10)	0.0142 (3)
O13	0.20274 (18)	0.04431 (8)	0.40274 (9)	0.0082 (3)
O14	0.22185 (19)	0.34823 (9)	0.10856 (10)	0.0122 (3)
O15	0.26570 (18)	0.53999 (9)	0.09494 (9)	0.0096 (3)
O16	0.26979 (19)	0.15764 (8)	0.09357 (9)	0.0092 (3)
O17	0.3161 (2)	0.42989 (9)	0.26470 (10)	0.0120 (3)
O18	0.31663 (19)	0.14382 (8)	0.32837 (9)	0.0105 (3)
O19	0.31924 (19)	0.26628 (9)	0.25893 (9)	0.0111 (3)
O20	0.40515 (19)	0.05377 (8)	0.02510 (9)	0.0091 (3)
O21	0.41112 (19)	0.25876 (8)	0.02745 (9)	0.0102 (3)
O22	0.44583 (19)	0.44667 (8)	0.04263 (9)	0.0099 (3)
O23	0.45573 (18)	0.03137 (8)	0.28014 (9)	0.0098 (3)
O24	0.50650 (19)	0.34326 (8)	0.44659 (9)	0.0097 (3)
O25	0.53739 (18)	0.35011 (8)	0.21108 (9)	0.0096 (3)
O26	0.54671 (19)	0.16143 (8)	0.21134 (9)	0.0096 (3)
O27	0.57760 (19)	0.14377 (8)	0.46158 (9)	0.0092 (3)
O28	0.66921 (19)	0.44072 (8)	0.38329 (9)	0.0103 (3)
O29	0.67975 (19)	0.25219 (8)	0.38636 (9)	0.0100 (3)
O30	0.68286 (19)	0.04695 (9)	0.15203 (9)	0.0110 (3)
O31	0.7075 (2)	0.27406 (9)	0.15147 (11)	0.0190 (4)
O32	0.7519 (2)	0.41584 (9)	0.16672 (10)	0.0134 (3)
O33	0.77970 (19)	0.15657 (8)	0.07783 (9)	0.0085 (3)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ba1	0.01007 (6)	0.01158 (6)	0.01264 (7)	0.00016 (5)	0.00381 (5)	0.00013 (5)
Y1	0.00706 (10)	0.01126 (10)	0.00829 (10)	−0.00009 (8)	0.00242 (8)	−0.00038 (7)
Y2	0.00673 (10)	0.00988 (10)	0.01212 (10)	0.00019 (8)	0.00223 (8)	−0.00088 (8)
Y3	0.00828 (10)	0.00970 (9)	0.00923 (10)	0.00122 (8)	0.00264 (8)	0.00187 (8)
Y4	0.00750 (10)	0.00867 (9)	0.01056 (10)	0.00052 (8)	0.00178 (8)	0.00148 (8)
Y5	0.00866 (10)	0.01055 (10)	0.00723 (9)	−0.00086 (8)	0.00217 (8)	−0.00042 (7)
Y6	0.00816 (10)	0.01254 (10)	0.00706 (9)	0.00077 (8)	0.00223 (8)	0.00055 (7)
Y7	0.00724 (10)	0.00913 (9)	0.00804 (9)	−0.00020 (8)	0.00224 (7)	−0.00029 (7)
Y8	0.00789 (10)	0.00854 (9)	0.01006 (10)	−0.00088 (8)	0.00273 (8)	−0.00153 (7)
Y9	0.01067 (10)	0.00790 (9)	0.00788 (9)	0.00026 (8)	0.00226 (8)	0.00023 (7)
Y10	0.01035 (10)	0.00768 (9)	0.00781 (10)	−0.00013 (7)	0.00182 (8)	−0.00046 (7)
Y11	0.00807 (10)	0.00840 (9)	0.00715 (9)	−0.00019 (7)	0.00186 (7)	−0.00013 (7)
Y12	0.01153 (10)	0.00896 (9)	0.00710 (9)	−0.00063 (8)	0.00222 (8)	−0.00024 (7)
Y13	0.00789 (10)	0.00852 (9)	0.00716 (9)	−0.00028 (7)	0.00215 (7)	−0.00015 (7)
Y14	0.00767 (10)	0.00776 (9)	0.00807 (9)	−0.00032 (7)	0.00196 (7)	−0.00037 (7)
Y15	0.00900 (10)	0.00763 (9)	0.00850 (9)	0.00073 (7)	0.00266 (8)	0.00070 (7)
Y16	0.00846 (10)	0.00831 (9)	0.00839 (9)	−0.00055 (8)	0.00221 (8)	−0.00087 (7)
Si1	0.0082 (3)	0.0095 (3)	0.0074 (3)	−0.0004 (2)	0.0021 (2)	0.0001 (2)
Si2	0.0074 (3)	0.0080 (3)	0.0078 (3)	0.0001 (2)	0.0020 (2)	0.0005 (2)
Si3	0.0081 (3)	0.0082 (3)	0.0078 (3)	−0.0006 (2)	0.0024 (2)	−0.0003 (2)
Si4	0.0077 (3)	0.0089 (3)	0.0098 (3)	0.0004 (2)	0.0026 (2)	0.0016 (2)
O1	0.0095 (8)	0.0092 (7)	0.0075 (7)	0.0002 (6)	0.0027 (6)	−0.0005 (6)
O2	0.0129 (9)	0.0146 (8)	0.0244 (10)	−0.0032 (7)	0.0017 (7)	0.0048 (7)
O3	0.0102 (8)	0.0183 (9)	0.0112 (8)	−0.0022 (7)	0.0006 (6)	−0.0022 (7)
O4	0.0168 (9)	0.0195 (9)	0.0230 (10)	0.0051 (7)	0.0069 (8)	−0.0031 (8)
O5	0.0118 (8)	0.0212 (9)	0.0121 (8)	0.0018 (7)	0.0020 (7)	0.0048 (7)
O6	0.0113 (8)	0.0156 (8)	0.0087 (8)	0.0005 (6)	0.0022 (6)	0.0004 (6)
O7	0.0086 (8)	0.0130 (8)	0.0094 (8)	−0.0008 (6)	0.0017 (6)	0.0004 (6)
O8	0.0127 (8)	0.0119 (8)	0.0135 (8)	0.0001 (6)	0.0058 (6)	0.0020 (6)
O9	0.0092 (8)	0.0104 (7)	0.0085 (7)	−0.0016 (6)	0.0017 (6)	−0.0010 (6)
O10	0.0099 (8)	0.0099 (7)	0.0083 (7)	0.0003 (6)	0.0018 (6)	−0.0008 (6)
O11	0.0132 (9)	0.0377 (12)	0.0181 (9)	0.0014 (8)	0.0005 (7)	−0.0145 (8)
O12	0.0133 (9)	0.0170 (8)	0.0147 (8)	−0.0021 (7)	0.0077 (7)	−0.0038 (7)
O13	0.0084 (7)	0.0085 (7)	0.0073 (7)	−0.0001 (6)	0.0020 (6)	−0.0002 (6)
O14	0.0092 (8)	0.0126 (8)	0.0113 (8)	0.0008 (6)	−0.0016 (6)	−0.0013 (6)
O15	0.0085 (8)	0.0108 (7)	0.0097 (7)	0.0008 (6)	0.0031 (6)	0.0004 (6)
O16	0.0081 (8)	0.0099 (7)	0.0093 (7)	0.0003 (6)	0.0026 (6)	0.0001 (6)
O17	0.0125 (8)	0.0121 (8)	0.0125 (8)	0.0015 (6)	0.0054 (6)	−0.0004 (6)
O18	0.0102 (8)	0.0092 (7)	0.0111 (8)	−0.0002 (6)	0.0021 (6)	0.0011 (6)
O19	0.0128 (8)	0.0109 (7)	0.0107 (8)	−0.0021 (6)	0.0053 (6)	0.0001 (6)
O20	0.0105 (8)	0.0077 (7)	0.0089 (7)	−0.0011 (6)	0.0028 (6)	−0.0006 (6)
O21	0.0115 (8)	0.0091 (7)	0.0110 (8)	0.0004 (6)	0.0049 (6)	0.0013 (6)
O22	0.0092 (8)	0.0114 (8)	0.0097 (7)	0.0003 (6)	0.0038 (6)	−0.0004 (6)
O23	0.0081 (8)	0.0121 (8)	0.0086 (7)	−0.0005 (6)	0.0021 (6)	0.0011 (6)
O24	0.0081 (8)	0.0112 (7)	0.0099 (7)	−0.0003 (6)	0.0030 (6)	0.0005 (6)
O25	0.0081 (8)	0.0108 (7)	0.0094 (7)	0.0004 (6)	0.0019 (6)	0.0004 (6)
O26	0.0084 (8)	0.0108 (7)	0.0088 (7)	0.0003 (6)	0.0020 (6)	0.0003 (6)
O27	0.0099 (8)	0.0091 (7)	0.0086 (7)	−0.0002 (6)	0.0032 (6)	−0.0009 (6)
O28	0.0104 (8)	0.0104 (7)	0.0091 (7)	−0.0017 (6)	0.0020 (6)	0.0001 (6)
O29	0.0093 (8)	0.0099 (7)	0.0107 (8)	0.0003 (6)	0.0031 (6)	0.0005 (6)
O30	0.0103 (8)	0.0109 (7)	0.0111 (8)	0.0023 (6)	0.0024 (6)	0.0025 (6)
O31	0.0301 (11)	0.0097 (8)	0.0221 (10)	0.0016 (7)	0.0153 (8)	−0.0009 (7)
O32	0.0161 (9)	0.0114 (8)	0.0130 (8)	−0.0029 (7)	0.0052 (7)	0.0014 (6)
O33	0.0082 (7)	0.0086 (7)	0.0082 (7)	0.0002 (6)	0.0019 (6)	−0.0003 (6)

Geometric parameters (Å, º) top

Ba1—O17	2.7478 (17)	Y8—O12	2.8503 (18)
Ba1—O11ⁱ	2.7696 (19)	Y9—O15	2.1739 (16)
Ba1—O19	2.7793 (17)	Y9—O23^viii	2.1745 (16)
Ba1—O14	2.8395 (17)	Y9—O22	2.2201 (16)
Ba1—O32ⁱⁱ	2.8661 (18)	Y9—O25	2.2847 (16)
Ba1—O8	2.9444 (17)	Y9—O17	2.3963 (17)
Ba1—O3	2.9600 (17)	Y9—O14	2.4017 (17)
Ba1—O5	3.0333 (18)	Y10—O16	2.1430 (16)
Ba1—Si2	3.0467 (6)	Y10—O26	2.2131 (16)
Ba1—Si4ⁱⁱ	3.0500 (7)	Y10—O21	2.2207 (16)
Ba1—O4ⁱ	3.0551 (19)	Y10—O25	2.3482 (16)
Ba1—Si3	3.0626 (6)	Y10—O14	2.4055 (16)
Ba1—Si1	3.0831 (6)	Y10—O19	2.4223 (16)
Ba1—O12	3.1141 (18)	Y10—O31	2.8058 (19)
Ba1—O2ⁱ	3.1369 (19)	Y11—O20	2.2790 (16)
Ba1—O31ⁱⁱ	3.274 (2)	Y11—O16	2.2876 (16)
Ba1—Y9	4.0878 (3)	Y11—O28^ix	2.3342 (16)
Ba1—Y4ⁱ	4.1637 (3)	Y11—O23	2.3374 (16)
Ba1—Y12	4.1851 (3)	Y11—O9	2.3637 (16)
Ba1—Y10	4.1960 (3)	Y11—O26	2.3799 (16)
Y1—O16	2.2005 (16)	Y11—O30	2.5071 (16)
Y1—O33ⁱⁱ	2.2170 (16)	Y12—O24	2.1194 (16)
Y1—O7ⁱ	2.2498 (16)	Y12—O28	2.1921 (16)
Y1—O9	2.3055 (16)	Y12—O29	2.2564 (16)
Y1—O1ⁱⁱⁱ	2.3079 (16)	Y12—O25	2.2959 (16)
Y1—O3	2.5694 (17)	Y12—O19	2.4673 (17)
Y1—O4ⁱ	2.8014 (19)	Y12—O17	2.4859 (17)
Y1—Y14ⁱⁱ	3.5777 (3)	Y13—O27	2.2879 (16)
Y1—Y11	3.6356 (3)	Y13—O26	2.2892 (16)
Y2—O15	2.1496 (16)	Y13—O15^ix	2.3290 (16)
Y2—O13^iv	2.1736 (16)	Y13—O10^ix	2.3466 (16)
Y2—O10	2.2282 (16)	Y13—O29	2.3585 (16)
Y2—O6^iv	2.3233 (17)	Y13—O23	2.4039 (16)
Y2—O5	2.3485 (17)	Y13—O18	2.4563 (17)
Y2—O2ⁱ	2.5253 (18)	Y14—O20^x	2.2389 (15)
Y3—O7	2.2297 (16)	Y14—O33	2.2856 (16)
Y3—O7^v	2.2436 (17)	Y14—O7^ix	2.2879 (16)
Y3—O9^vi	2.2546 (16)	Y14—O24ⁱⁱⁱ	2.3189 (16)
Y3—O1^v	2.2620 (16)	Y14—O20	2.3499 (16)
Y3—O28^vii	2.3197 (17)	Y14—O28ⁱⁱⁱ	2.3810 (16)
Y3—O8^v	2.4654 (17)	Y14—O30	2.5306 (16)
Y4—O1^iv	2.1898 (16)	Y15—O33	2.2050 (16)
Y4—O29^viii	2.2225 (16)	Y15—O27ⁱⁱⁱ	2.2231 (16)
Y4—O10	2.2772 (16)	Y15—O24ⁱⁱⁱ	2.2812 (16)
Y4—O11	2.2894 (19)	Y15—O21	2.3529 (16)
Y4—O6^iv	2.3810 (17)	Y15—O29ⁱⁱⁱ	2.3660 (16)
Y4—O12^iv	2.4084 (17)	Y15—O31	2.4990 (19)
Y5—O9	2.1569 (16)	Y15—O4^ix	2.5259 (19)
Y5—O13	2.2115 (15)	Y16—O27ⁱⁱⁱ	2.1983 (16)
Y5—O23	2.2252 (16)	Y16—O13^viii	2.2097 (16)
Y5—O18	2.3281 (16)	Y16—O22^xi	2.3185 (16)
Y5—O32^ix	2.3295 (17)	Y16—O22	2.3304 (16)
Y5—O5ⁱ	2.4652 (18)	Y16—O15^xi	2.3343 (16)
Y6—O10	2.1976 (16)	Y16—O2^ix	2.5198 (18)
Y6—O33^viii	2.2074 (16)	Y16—O32	2.6127 (17)
Y6—O26^viii	2.2225 (16)	Si1—O4ⁱ	1.6218 (19)
Y6—O31^viii	2.3284 (18)	Si1—O6ⁱⁱⁱ	1.6274 (17)
Y6—O30^viii	2.3395 (17)	Si1—O14	1.6423 (18)
Y6—O3^iv	2.4547 (17)	Si1—O2ⁱ	1.6428 (18)
Y7—O24	2.2120 (16)	Si2—O18	1.6205 (17)
Y7—O20^vi	2.2383 (16)	Si2—O19	1.6356 (17)
Y7—O16^vi	2.2964 (16)	Si2—O3	1.6422 (18)
Y7—O1	2.3113 (16)	Si2—O12	1.6441 (18)
Y7—O21^vi	2.3455 (16)	Si3—O30^viii	1.6198 (17)
Y7—O8	2.5336 (17)	Si3—O8	1.6277 (17)
Y7—O12	2.6233 (17)	Si3—O17	1.6505 (17)
Y8—O21^vi	2.2060 (16)	Si3—O5	1.6596 (18)
Y8—O27	2.2339 (16)	Si4—O31	1.6201 (18)
Y8—O13	2.2527 (16)	Si4—O11^ix	1.621 (2)
Y8—O22^vi	2.2630 (16)	Si4—O32	1.6240 (17)
Y8—O18	2.3772 (16)	Si4—O25	1.6276 (17)
Y8—O6	2.3887 (17)

O17—Ba1—O11ⁱ	125.29 (6)	O15^ix—Y13—O18	117.55 (5)
O17—Ba1—O19	67.40 (5)	O10^ix—Y13—O18	166.82 (5)
O11ⁱ—Ba1—O19	118.72 (5)	O29—Y13—O18	101.48 (5)
O17—Ba1—O14	67.54 (5)	O23—Y13—O18	68.84 (5)
O11ⁱ—Ba1—O14	167.12 (5)	O20^x—Y14—O33	159.82 (6)
O19—Ba1—O14	65.07 (5)	O20^x—Y14—O7^ix	91.30 (6)
O17—Ba1—O32ⁱⁱ	120.23 (5)	O33—Y14—O7^ix	74.14 (6)
O11ⁱ—Ba1—O32ⁱⁱ	56.19 (5)	O20^x—Y14—O24ⁱⁱⁱ	123.98 (6)
O19—Ba1—O32ⁱⁱ	172.15 (5)	O33—Y14—O24ⁱⁱⁱ	76.20 (6)
O14—Ba1—O32ⁱⁱ	118.45 (5)	O7^ix—Y14—O24ⁱⁱⁱ	125.50 (6)
O17—Ba1—O8	55.42 (5)	O20^x—Y14—O20	81.19 (6)
O11ⁱ—Ba1—O8	69.87 (5)	O33—Y14—O20	108.39 (6)
O19—Ba1—O8	91.90 (5)	O7^ix—Y14—O20	161.75 (6)
O14—Ba1—O8	122.96 (5)	O24ⁱⁱⁱ—Y14—O20	71.84 (5)
O32ⁱⁱ—Ba1—O8	91.53 (5)	O20^x—Y14—O28ⁱⁱⁱ	78.17 (6)
O17—Ba1—O3	122.95 (5)	O33—Y14—O28ⁱⁱⁱ	110.40 (6)
O11ⁱ—Ba1—O3	81.95 (6)	O7^ix—Y14—O28ⁱⁱⁱ	75.13 (6)
O19—Ba1—O3	55.78 (5)	O24ⁱⁱⁱ—Y14—O28ⁱⁱⁱ	73.94 (5)
O14—Ba1—O3	91.56 (5)	O20—Y14—O28ⁱⁱⁱ	118.95 (6)
O32ⁱⁱ—Ba1—O3	116.44 (5)	O20^x—Y14—O30	98.17 (5)
O8—Ba1—O3	118.40 (5)	O33—Y14—O30	69.73 (5)
O17—Ba1—O5	54.50 (5)	O7^ix—Y14—O30	94.20 (5)
O11ⁱ—Ba1—O5	93.27 (6)	O24ⁱⁱⁱ—Y14—O30	116.53 (5)
O19—Ba1—O5	121.73 (5)	O20—Y14—O30	70.66 (5)
O14—Ba1—O5	94.48 (5)	O28ⁱⁱⁱ—Y14—O30	168.52 (5)
O32ⁱⁱ—Ba1—O5	65.78 (5)	O33—Y15—O27ⁱⁱⁱ	166.92 (6)
O8—Ba1—O5	52.96 (5)	O33—Y15—O24ⁱⁱⁱ	78.57 (6)
O3—Ba1—O5	171.32 (5)	O27ⁱⁱⁱ—Y15—O24ⁱⁱⁱ	114.43 (6)
O17—Ba1—O4ⁱ	121.87 (5)	O33—Y15—O21	108.96 (6)
O11ⁱ—Ba1—O4ⁱ	112.30 (5)	O27ⁱⁱⁱ—Y15—O21	77.87 (6)
O19—Ba1—O4ⁱ	93.13 (5)	O24ⁱⁱⁱ—Y15—O21	72.07 (6)
O14—Ba1—O4ⁱ	54.85 (5)	O33—Y15—O29ⁱⁱⁱ	109.61 (6)
O32ⁱⁱ—Ba1—O4ⁱ	84.19 (5)	O27ⁱⁱⁱ—Y15—O29ⁱⁱⁱ	74.46 (6)
O8—Ba1—O4ⁱ	172.47 (5)	O24ⁱⁱⁱ—Y15—O29ⁱⁱⁱ	73.58 (6)
O3—Ba1—O4ⁱ	69.12 (5)	O21—Y15—O29ⁱⁱⁱ	120.73 (6)
O5—Ba1—O4ⁱ	119.52 (5)	O33—Y15—O31	71.83 (6)
O17—Ba1—O12	90.81 (5)	O27ⁱⁱⁱ—Y15—O31	100.32 (6)
O11ⁱ—Ba1—O12	65.77 (5)	O24ⁱⁱⁱ—Y15—O31	123.73 (6)
O19—Ba1—O12	53.63 (4)	O21—Y15—O31	73.98 (6)
O14—Ba1—O12	118.59 (5)	O29ⁱⁱⁱ—Y15—O31	161.71 (6)
O32ⁱⁱ—Ba1—O12	121.94 (5)	O33—Y15—O4^ix	75.92 (6)
O8—Ba1—O12	65.98 (5)	O27ⁱⁱⁱ—Y15—O4^ix	92.57 (6)
O3—Ba1—O12	52.51 (4)	O24ⁱⁱⁱ—Y15—O4^ix	136.88 (6)
O5—Ba1—O12	118.90 (5)	O21—Y15—O4^ix	149.68 (6)
O4ⁱ—Ba1—O12	121.55 (5)	O29ⁱⁱⁱ—Y15—O4^ix	83.02 (6)
O17—Ba1—O2ⁱ	88.07 (5)	O31—Y15—O4^ix	79.68 (6)
O11ⁱ—Ba1—O2ⁱ	122.33 (5)	O27ⁱⁱⁱ—Y16—O13^viii	172.57 (6)
O19—Ba1—O2ⁱ	117.32 (5)	O27ⁱⁱⁱ—Y16—O22^xi	109.86 (6)
O14—Ba1—O2ⁱ	52.26 (5)	O13^viii—Y16—O22^xi	76.11 (6)
O32ⁱⁱ—Ba1—O2ⁱ	66.56 (5)	O27ⁱⁱⁱ—Y16—O22	75.36 (6)
O8—Ba1—O2ⁱ	120.61 (5)	O13^viii—Y16—O22	102.30 (6)
O3—Ba1—O2ⁱ	120.81 (5)	O22^xi—Y16—O22	77.17 (6)
O5—Ba1—O2ⁱ	67.87 (5)	O27ⁱⁱⁱ—Y16—O15^xi	76.29 (6)
O4ⁱ—Ba1—O2ⁱ	51.95 (5)	O13^viii—Y16—O15^xi	110.19 (6)
O12—Ba1—O2ⁱ	170.28 (4)	O22^xi—Y16—O15^xi	73.17 (6)
O17—Ba1—O31ⁱⁱ	171.58 (5)	O22—Y16—O15^xi	128.31 (6)
O11ⁱ—Ba1—O31ⁱⁱ	51.27 (5)	O27ⁱⁱⁱ—Y16—O2^ix	102.52 (6)
O19—Ba1—O31ⁱⁱ	120.95 (5)	O13^viii—Y16—O2^ix	76.41 (6)
O14—Ba1—O31ⁱⁱ	115.88 (5)	O22^xi—Y16—O2^ix	126.26 (6)
O32ⁱⁱ—Ba1—O31ⁱⁱ	51.38 (5)	O22—Y16—O2^ix	154.03 (6)
O8—Ba1—O31ⁱⁱ	120.55 (4)	O15^xi—Y16—O2^ix	74.45 (6)
O3—Ba1—O31ⁱⁱ	65.30 (5)	O27ⁱⁱⁱ—Y16—O32	101.72 (6)
O5—Ba1—O31ⁱⁱ	117.09 (5)	O13^viii—Y16—O32	70.85 (5)
O4ⁱ—Ba1—O31ⁱⁱ	61.03 (5)	O22^xi—Y16—O32	130.53 (5)
O12—Ba1—O31ⁱⁱ	93.83 (5)	O22—Y16—O32	75.19 (5)
O2ⁱ—Ba1—O31ⁱⁱ	88.51 (5)	O15^xi—Y16—O32	153.20 (6)
O16—Y1—O33ⁱⁱ	164.90 (6)	O2^ix—Y16—O32	80.06 (6)
O16—Y1—O7ⁱ	117.27 (6)	O4ⁱ—Si1—O6ⁱⁱⁱ	107.60 (10)
O33ⁱⁱ—Y1—O7ⁱ	76.22 (6)	O4ⁱ—Si1—O14	112.98 (10)
O16—Y1—O9	75.36 (6)	O6ⁱⁱⁱ—Si1—O14	106.32 (9)
O33ⁱⁱ—Y1—O9	116.75 (6)	O4ⁱ—Si1—O2ⁱ	112.40 (10)
O7ⁱ—Y1—O9	74.38 (6)	O6ⁱⁱⁱ—Si1—O2ⁱ	110.10 (10)
O16—Y1—O1ⁱⁱⁱ	74.23 (6)	O14—Si1—O2ⁱ	107.27 (9)
O33ⁱⁱ—Y1—O1ⁱⁱⁱ	103.99 (6)	O18—Si2—O19	107.53 (9)
O7ⁱ—Y1—O1ⁱⁱⁱ	77.49 (6)	O18—Si2—O3	112.15 (9)
O9—Y1—O1ⁱⁱⁱ	121.91 (6)	O19—Si2—O3	110.27 (9)
O16—Y1—O3	96.07 (6)	O18—Si2—O12	107.58 (9)
O33ⁱⁱ—Y1—O3	78.37 (6)	O19—Si2—O12	109.31 (9)
O7ⁱ—Y1—O3	129.56 (6)	O3—Si2—O12	109.91 (9)
O9—Y1—O3	79.47 (6)	O30^viii—Si3—O8	114.47 (9)
O1ⁱⁱⁱ—Y1—O3	151.51 (6)	O30^viii—Si3—O17	109.39 (9)
O16—Y1—O4ⁱ	95.15 (6)	O8—Si3—O17	108.02 (9)
O33ⁱⁱ—Y1—O4ⁱ	70.09 (5)	O30^viii—Si3—O5	109.38 (9)
O7ⁱ—Y1—O4ⁱ	129.53 (6)	O8—Si3—O5	108.41 (9)
O9—Y1—O4ⁱ	155.15 (6)	O17—Si3—O5	106.90 (9)
O1ⁱⁱⁱ—Y1—O4ⁱ	75.60 (5)	O31—Si4—O11^ix	109.95 (11)
O3—Y1—O4ⁱ	78.78 (6)	O31—Si4—O32	111.84 (10)
O15—Y2—O13^iv	164.19 (6)	O11^ix—Si4—O32	109.85 (10)
O15—Y2—O10	80.50 (6)	O31—Si4—O25	105.96 (10)
O13^iv—Y2—O10	114.60 (6)	O11^ix—Si4—O25	109.90 (10)
O15—Y2—O6^iv	106.62 (6)	O32—Si4—O25	109.25 (9)
O13^iv—Y2—O6^iv	75.30 (6)	Y3^v—O1—Y1^vi	99.97 (6)
O10—Y2—O6^iv	72.67 (6)	Y4ⁱ—O1—Y7	106.13 (6)
O15—Y2—O5	107.69 (6)	Y3^v—O1—Y7	103.68 (6)
O13^iv—Y2—O5	80.07 (6)	Y1^vi—O1—Y7	103.92 (6)
O10—Y2—O5	82.76 (6)	Si1^iv—O2—Y16^viii	125.68 (10)
O6^iv—Y2—O5	133.27 (6)	Si1^iv—O2—Y2^iv	142.19 (10)
O15—Y2—O2ⁱ	89.15 (6)	Y16^viii—O2—Y2^iv	91.86 (6)
O13^iv—Y2—O2ⁱ	76.91 (6)	Si1^iv—O2—Ba1^iv	72.88 (7)
O10—Y2—O2ⁱ	164.80 (6)	Y16^viii—O2—Ba1^iv	102.67 (6)
O6^iv—Y2—O2ⁱ	121.37 (6)	Y2^iv—O2—Ba1^iv	96.77 (6)
O5—Y2—O2ⁱ	89.90 (6)	Si2—O3—Y6ⁱ	140.38 (10)
O7—Y3—O7^v	74.11 (7)	Si2—O3—Y1	129.18 (9)
O7—Y3—O9^vi	112.65 (6)	Y6ⁱ—O3—Y1	88.78 (5)
O7^v—Y3—O9^vi	75.50 (6)	Si2—O3—Ba1	77.07 (7)
O7—Y3—O1^v	78.85 (6)	Y6ⁱ—O3—Ba1	103.76 (6)
O7^v—Y3—O1^v	112.62 (6)	Y1—O3—Ba1	108.66 (6)
O9^vi—Y3—O1^v	167.88 (6)	Si1^iv—O4—Y15^viii	140.05 (11)
O7—Y3—O28^vii	77.47 (6)	Si1^iv—O4—Y1^iv	128.30 (10)
O7^v—Y3—O28^vii	128.51 (6)	Y15^viii—O4—Y1^iv	90.11 (6)
O9^vi—Y3—O28^vii	77.21 (6)	Si1^iv—O4—Ba1^iv	75.63 (7)
O1^v—Y3—O28^vii	102.63 (6)	Y15^viii—O4—Ba1^iv	111.80 (6)
O7—Y3—O8^v	136.24 (6)	Y1^iv—O4—Ba1^iv	100.26 (6)
O7^v—Y3—O8^v	82.52 (6)	Si3—O5—Y2	131.00 (10)
O9^vi—Y3—O8^v	95.99 (6)	Si3—O5—Y5^iv	135.25 (9)
O1^v—Y3—O8^v	76.80 (6)	Y2—O5—Y5^iv	93.69 (6)
O28^vii—Y3—O8^v	143.34 (6)	Si3—O5—Ba1	75.18 (7)
O1^iv—Y4—O29^viii	102.44 (6)	Y2—O5—Ba1	103.67 (6)
O1^iv—Y4—O10	173.96 (6)	Y5^iv—O5—Ba1	99.19 (6)
O29^viii—Y4—O10	79.72 (6)	Si1^vi—O6—Y2ⁱ	107.89 (8)
O1^iv—Y4—O11	85.27 (7)	Si1^vi—O6—Y4ⁱ	110.09 (9)
O29^viii—Y4—O11	83.33 (6)	Y2ⁱ—O6—Y4ⁱ	104.79 (7)
O10—Y4—O11	100.62 (7)	Si1^vi—O6—Y8	115.51 (9)
O1^iv—Y4—O6^iv	103.27 (6)	Y2ⁱ—O6—Y8	101.15 (6)
O29^viii—Y4—O6^iv	113.18 (6)	Y4ⁱ—O6—Y8	116.09 (7)
O10—Y4—O6^iv	70.74 (6)	Y3—O7—Y3^v	105.89 (7)
O11—Y4—O6^iv	158.61 (7)	Y3—O7—Y1^iv	102.77 (7)
O1^iv—Y4—O12^iv	83.61 (6)	Y3^v—O7—Y1^iv	105.20 (7)
O29^viii—Y4—O12^iv	167.30 (6)	Y3—O7—Y14^viii	106.45 (7)
O10—Y4—O12^iv	95.40 (6)	Y3^v—O7—Y14^viii	129.59 (8)
O11—Y4—O12^iv	86.09 (7)	Y1^iv—O7—Y14^viii	104.07 (6)
O6^iv—Y4—O12^iv	75.61 (6)	Si3—O8—Y3^v	128.47 (9)
O9—Y5—O13	158.36 (6)	Si3—O8—Y7	133.04 (9)
O9—Y5—O23	82.38 (6)	Y3^v—O8—Y7	91.99 (5)
O13—Y5—O23	113.58 (6)	Si3—O8—Ba1	78.32 (7)
O9—Y5—O18	99.01 (6)	Y3^v—O8—Ba1	112.96 (6)
O13—Y5—O18	73.14 (6)	Y7—O8—Ba1	109.92 (6)
O23—Y5—O18	74.20 (6)	Y5—O9—Y3ⁱⁱⁱ	114.47 (7)
O9—Y5—O32^ix	119.60 (6)	Y5—O9—Y1	130.21 (7)
O13—Y5—O32^ix	76.55 (6)	Y3ⁱⁱⁱ—O9—Y1	103.02 (6)
O23—Y5—O32^ix	90.16 (6)	Y5—O9—Y11	101.40 (6)
O18—Y5—O32^ix	136.15 (6)	Y3ⁱⁱⁱ—O9—Y11	101.04 (6)
O9—Y5—O5ⁱ	90.07 (6)	Y1—O9—Y11	102.27 (6)
O13—Y5—O5ⁱ	76.80 (6)	Y6—O10—Y2	124.30 (7)
O23—Y5—O5ⁱ	166.55 (6)	Y6—O10—Y4	111.88 (7)
O18—Y5—O5ⁱ	118.19 (6)	Y2—O10—Y4	111.63 (7)
O32^ix—Y5—O5ⁱ	83.90 (6)	Y6—O10—Y13^viii	103.06 (6)
O10—Y6—O33^viii	165.38 (6)	Y2—O10—Y13^viii	101.01 (6)
O10—Y6—O26^viii	78.30 (6)	Y4—O10—Y13^viii	100.99 (6)
O33^viii—Y6—O26^viii	114.42 (6)	Si4^viii—O11—Y4	143.51 (12)
O10—Y6—O31^viii	115.27 (6)	Si4^viii—O11—Ba1^iv	83.64 (8)
O33^viii—Y6—O31^viii	75.21 (6)	Y4—O11—Ba1^iv	110.42 (7)
O26^viii—Y6—O31^viii	81.58 (6)	Si2—O12—Y4ⁱ	129.61 (10)
O10—Y6—O30^viii	102.46 (6)	Si2—O12—Y7	139.00 (9)
O33^viii—Y6—O30^viii	74.70 (6)	Y4ⁱ—O12—Y7	91.21 (5)
O26^viii—Y6—O30^viii	77.67 (6)	Si2—O12—Y8	87.08 (7)
O31^viii—Y6—O30^viii	131.74 (7)	Y4ⁱ—O12—Y8	100.30 (6)
O10—Y6—O3^iv	88.57 (6)	Y7—O12—Y8	89.28 (5)
O33^viii—Y6—O3^iv	81.09 (6)	Si2—O12—Ba1	72.27 (6)
O26^viii—Y6—O3^iv	159.14 (6)	Y4ⁱ—O12—Ba1	97.04 (6)
O31^viii—Y6—O3^iv	89.66 (6)	Y7—O12—Ba1	102.71 (5)
O30^viii—Y6—O3^iv	121.43 (6)	Y8—O12—Ba1	158.69 (6)
O24—Y7—O20^vi	75.98 (6)	Y2ⁱ—O13—Y16^ix	111.58 (7)
O24—Y7—O16^vi	122.82 (6)	Y2ⁱ—O13—Y5	106.46 (7)
O20^vi—Y7—O16^vi	76.51 (6)	Y16^ix—O13—Y5	111.48 (7)
O24—Y7—O1	164.43 (6)	Y2ⁱ—O13—Y8	110.63 (7)
O20^vi—Y7—O1	113.49 (6)	Y16^ix—O13—Y8	105.63 (6)
O16^vi—Y7—O1	72.41 (6)	Y5—O13—Y8	111.16 (7)
O24—Y7—O21^vi	73.43 (6)	Si1—O14—Y9	126.47 (9)
O20^vi—Y7—O21^vi	113.78 (6)	Si1—O14—Y10	129.76 (9)
O16^vi—Y7—O21^vi	73.56 (6)	Y9—O14—Y10	100.68 (6)
O1—Y7—O21^vi	111.28 (6)	Si1—O14—Ba1	82.27 (7)
O24—Y7—O8	95.10 (6)	Y9—O14—Ba1	102.19 (6)
O20^vi—Y7—O8	83.28 (6)	Y10—O14—Ba1	105.96 (6)
O16^vi—Y7—O8	129.72 (6)	Y2—O15—Y9	114.18 (7)
O1—Y7—O8	74.59 (5)	Y2—O15—Y13^viii	104.01 (6)
O21^vi—Y7—O8	155.33 (6)	Y9—O15—Y13^viii	104.44 (7)
O24—Y7—O12	90.20 (6)	Y2—O15—Y16^xi	125.53 (7)
O20^vi—Y7—O12	156.93 (6)	Y9—O15—Y16^xi	104.76 (6)
O16^vi—Y7—O12	126.50 (6)	Y13^viii—O15—Y16^xi	101.29 (6)
O1—Y7—O12	76.64 (5)	Y10—O16—Y1	122.70 (7)
O21^vi—Y7—O12	78.69 (6)	Y10—O16—Y11	107.97 (7)
O8—Y7—O12	79.60 (6)	Y1—O16—Y11	108.19 (7)
O21^vi—Y8—O27	80.79 (6)	Y10—O16—Y7ⁱⁱⁱ	105.58 (7)
O21^vi—Y8—O13	166.37 (6)	Y1—O16—Y7ⁱⁱⁱ	107.98 (7)
O27—Y8—O13	112.37 (6)	Y11—O16—Y7ⁱⁱⁱ	102.64 (6)
O21^vi—Y8—O22^vi	104.62 (6)	Si3—O17—Y9	131.87 (9)
O27—Y8—O22^vi	76.04 (6)	Si3—O17—Y12	125.83 (9)
O13—Y8—O22^vi	76.40 (6)	Y9—O17—Y12	97.30 (6)
O21^vi—Y8—O18	117.22 (6)	Si3—O17—Ba1	84.34 (7)
O27—Y8—O18	74.62 (6)	Y9—O17—Ba1	105.04 (6)
O13—Y8—O18	71.48 (6)	Y12—O17—Ba1	106.08 (6)
O22^vi—Y8—O18	123.05 (6)	Si2—O18—Y5	117.33 (9)
O21^vi—Y8—O6	94.41 (6)	Si2—O18—Y8	105.61 (8)
O27—Y8—O6	174.58 (6)	Y5—O18—Y8	103.00 (6)
O13—Y8—O6	72.59 (6)	Si2—O18—Y13	121.35 (9)
O22^vi—Y8—O6	107.80 (6)	Y5—O18—Y13	105.44 (6)
O18—Y8—O6	105.67 (6)	Y8—O18—Y13	101.38 (6)
O21^vi—Y8—O12	76.10 (6)	Si2—O19—Y10	127.62 (9)
O27—Y8—O12	108.64 (5)	Si2—O19—Y12	127.79 (9)
O13—Y8—O12	101.78 (5)	Y10—O19—Y12	99.39 (6)
O22^vi—Y8—O12	175.29 (5)	Si2—O19—Ba1	82.94 (7)
O18—Y8—O12	59.70 (5)	Y10—O19—Ba1	107.35 (6)
O6—Y8—O12	67.50 (5)	Y12—O19—Ba1	105.67 (6)
O15—Y9—O23^viii	80.64 (6)	Y7ⁱⁱⁱ—O20—Y14^x	129.43 (7)
O15—Y9—O22	78.25 (6)	Y7ⁱⁱⁱ—O20—Y11	104.78 (6)
O23^viii—Y9—O22	103.77 (6)	Y14^x—O20—Y11	104.63 (6)
O15—Y9—O25	177.52 (6)	Y7ⁱⁱⁱ—O20—Y14	104.94 (6)
O23^viii—Y9—O25	99.28 (6)	Y14^x—O20—Y14	98.81 (6)
O22—Y9—O25	99.39 (6)	Y11—O20—Y14	114.69 (7)
O15—Y9—O17	105.18 (6)	Y8ⁱⁱⁱ—O21—Y10	119.84 (7)
O23^viii—Y9—O17	85.86 (6)	Y8ⁱⁱⁱ—O21—Y7ⁱⁱⁱ	115.47 (7)
O22—Y9—O17	170.26 (6)	Y10—O21—Y7ⁱⁱⁱ	101.50 (6)
O25—Y9—O17	77.27 (6)	Y8ⁱⁱⁱ—O21—Y15	98.47 (6)
O15—Y9—O14	104.95 (6)	Y10—O21—Y15	117.68 (7)
O23^viii—Y9—O14	166.38 (6)	Y7ⁱⁱⁱ—O21—Y15	103.42 (6)
O22—Y9—O14	89.61 (6)	Y9—O22—Y8ⁱⁱⁱ	115.09 (7)
O25—Y9—O14	75.67 (6)	Y9—O22—Y16^xi	103.81 (6)
O17—Y9—O14	80.71 (6)	Y8ⁱⁱⁱ—O22—Y16^xi	101.78 (6)
O16—Y10—O26	77.73 (6)	Y9—O22—Y16	128.94 (7)
O16—Y10—O21	79.11 (6)	Y8ⁱⁱⁱ—O22—Y16	100.83 (6)
O26—Y10—O21	111.79 (6)	Y16^xi—O22—Y16	102.83 (6)
O16—Y10—O25	176.38 (6)	Y9^ix—O23—Y5	115.19 (7)
O26—Y10—O25	101.57 (6)	Y9^ix—O23—Y11	127.28 (7)
O21—Y10—O25	104.39 (6)	Y5—O23—Y11	100.19 (6)
O16—Y10—O14	105.23 (6)	Y9^ix—O23—Y13	101.97 (6)
O26—Y10—O14	163.87 (6)	Y5—O23—Y13	110.62 (7)
O21—Y10—O14	84.29 (6)	Y11—O23—Y13	100.31 (6)
O25—Y10—O14	74.45 (6)	Y12—O24—Y7	124.75 (8)
O16—Y10—O19	102.02 (6)	Y12—O24—Y15^vi	107.30 (7)
O26—Y10—O19	86.37 (6)	Y7—O24—Y15^vi	110.31 (7)
O21—Y10—O19	161.43 (6)	Y12—O24—Y14^vi	104.19 (6)
O25—Y10—O19	74.37 (5)	Y7—O24—Y14^vi	106.85 (6)
O14—Y10—O19	77.51 (6)	Y15^vi—O24—Y14^vi	100.67 (6)
O16—Y10—O31	123.07 (6)	Si4—O25—Y9	116.53 (8)
O26—Y10—O31	71.57 (6)	Si4—O25—Y12	114.63 (8)
O21—Y10—O31	69.97 (6)	Y9—O25—Y12	106.31 (6)
O25—Y10—O31	59.63 (5)	Si4—O25—Y10	105.81 (8)
O14—Y10—O31	117.33 (5)	Y9—O25—Y10	106.03 (6)
O19—Y10—O31	121.98 (6)	Y12—O25—Y10	106.82 (6)
O20—Y11—O16	75.89 (6)	Y10—O26—Y6^ix	112.77 (7)
O20—Y11—O28^ix	78.36 (6)	Y10—O26—Y13	125.02 (7)
O16—Y11—O28^ix	125.24 (6)	Y6^ix—O26—Y13	104.14 (7)
O20—Y11—O23	162.10 (6)	Y10—O26—Y11	102.55 (6)
O16—Y11—O23	122.00 (6)	Y6^ix—O26—Y11	108.66 (6)
O28^ix—Y11—O23	90.02 (6)	Y13—O26—Y11	102.45 (6)
O20—Y11—O9	113.46 (6)	Y16^vi—O27—Y15^vi	120.90 (7)
O16—Y11—O9	72.64 (6)	Y16^vi—O27—Y8	106.02 (7)
O28^ix—Y11—O9	74.83 (6)	Y15^vi—O27—Y8	101.61 (6)
O23—Y11—O9	75.75 (5)	Y16^vi—O27—Y13	106.97 (6)
O20—Y11—O26	109.58 (5)	Y15^vi—O27—Y13	109.56 (7)
O16—Y11—O26	71.68 (6)	Y8—O27—Y13	111.61 (7)
O28^ix—Y11—O26	163.06 (6)	Y12—O28—Y3^vii	126.58 (7)
O23—Y11—O26	78.39 (6)	Y12—O28—Y11^viii	124.62 (7)
O9—Y11—O26	113.44 (5)	Y3^vii—O28—Y11^viii	100.01 (6)
O20—Y11—O30	72.21 (6)	Y12—O28—Y14^vi	99.94 (6)
O16—Y11—O30	118.43 (6)	Y3^vii—O28—Y14^vi	100.67 (6)
O28^ix—Y11—O30	97.75 (6)	Y11^viii—O28—Y14^vi	98.62 (6)
O23—Y11—O30	96.28 (5)	Y4^ix—O29—Y12	119.57 (7)
O9—Y11—O30	168.90 (5)	Y4^ix—O29—Y13	102.27 (6)
O26—Y11—O30	71.65 (5)	Y12—O29—Y13	118.37 (7)
O24—Y12—O28	81.93 (6)	Y4^ix—O29—Y15^vi	113.01 (7)
O24—Y12—O29	78.96 (6)	Y12—O29—Y15^vi	100.15 (6)
O28—Y12—O29	105.13 (6)	Y13—O29—Y15^vi	102.53 (6)
O24—Y12—O25	177.11 (6)	Si3^ix—O30—Y6^ix	115.21 (9)
O28—Y12—O25	99.85 (6)	Si3^ix—O30—Y11	119.79 (9)
O29—Y12—O25	102.67 (6)	Y6^ix—O30—Y11	100.95 (6)
O24—Y12—O19	103.26 (6)	Si3^ix—O30—Y14	115.80 (8)
O28—Y12—O19	164.10 (6)	Y6^ix—O30—Y14	100.86 (6)
O29—Y12—O19	90.66 (6)	Y11—O30—Y14	101.37 (6)
O25—Y12—O19	74.42 (5)	Si4—O31—Y6^ix	124.64 (10)
O24—Y12—O17	102.60 (6)	Si4—O31—Y15	136.94 (10)
O28—Y12—O17	87.72 (6)	Y6^ix—O31—Y15	98.23 (6)
O29—Y12—O17	167.12 (6)	Si4—O31—Y10	88.42 (8)
O25—Y12—O17	75.27 (5)	Y6^ix—O31—Y10	91.53 (6)
O19—Y12—O17	76.51 (6)	Y15—O31—Y10	94.93 (7)
O27—Y13—O26	160.42 (6)	Si4—O31—Ba1^xii	67.62 (7)
O27—Y13—O15^ix	74.71 (6)	Y6^ix—O31—Ba1^xii	97.93 (6)
O26—Y13—O15^ix	124.66 (6)	Y15—O31—Ba1^xii	105.91 (6)
O27—Y13—O10^ix	118.30 (6)	Y10—O31—Ba1^xii	155.51 (7)
O26—Y13—O10^ix	74.01 (6)	Si4—O32—Y5^viii	129.38 (9)
O15^ix—Y13—O10^ix	74.47 (5)	Si4—O32—Y16	130.79 (9)
O27—Y13—O29	73.44 (6)	Y5^viii—O32—Y16	95.18 (6)
O26—Y13—O29	96.89 (6)	Si4—O32—Ba1^xii	80.42 (7)
O15^ix—Y13—O29	117.45 (6)	Y5^viii—O32—Ba1^xii	107.55 (6)
O10^ix—Y13—O29	75.62 (6)	Y16—O32—Ba1^xii	107.95 (6)
O27—Y13—O23	107.38 (5)	Y15—O33—Y6^ix	111.69 (7)
O26—Y13—O23	78.84 (5)	Y15—O33—Y1^xii	117.26 (7)
O15^ix—Y13—O23	72.93 (6)	Y6^ix—O33—Y1^xii	105.23 (7)
O10^ix—Y13—O23	112.50 (5)	Y15—O33—Y14	104.09 (6)
O29—Y13—O23	168.89 (6)	Y6^ix—O33—Y14	113.43 (7)
O27—Y13—O18	72.16 (6)	Y1^xii—O33—Y14	105.22 (6)
O26—Y13—O18	93.80 (6)

Symmetry codes: (i) −x, y−1/2, −z+1/2; (ii) x−1, y, z; (iii) x, −y+1/2, z−1/2; (iv) −x, y+1/2, −z+1/2; (v) −x, −y+1, −z+1; (vi) x, −y+1/2, z+1/2; (vii) −x+1, −y+1, −z+1; (viii) −x+1, y+1/2, −z+1/2; (ix) −x+1, y−1/2, −z+1/2; (x) −x+1, −y, −z; (xi) −x+1, −y+1, −z; (xii) x+1, y, z.

Acknowledgements

The authors would like to thank Takashi Kamaya for conducting the EPMA analysis.

Funding information

This work was supported in part by Mitsubishi Chemical Corporation (a joint research of Tohoku University and Mitsubishi Chemical Corporation, J190002825). RS was partly supported by the Project to Promote Gender Equality and Female Researchers of the Tohoku University Center for Gender Equality Promotion, Japan and the IMRAM project of the Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Japan.

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