

inorganic compounds
Mg20.66Al12.24Zn20.04
aState Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, People's Republic of China, bSchool of Mechanical and Materials Engineering, North China University of Technology, Beijing, People's Republic of China, and cHebei Key Lab for Optimizing Metal Product Technology and Performance, Yanshan University, Qinhuangdao 066004, People's Republic of China
*Correspondence e-mail: chzfan@ysu.edu.cn
The title single-crystal (icosamagnesium dodecaaluminium icosazinc), was obtained during the synthesis of an Mg–Al–Zn alloy at high pressure and temperature. It crystallizes in Im3 (No. 204) with seven distinct metal-atom sites: three are occupied by aluminium and zinc, one by zinc and magnesium and three by magnesium (two partially occupied). One of the Al/Zn sites has icosahedral coordination. There are significant difference between the current model and that of previous studies [Montagné & Tillard (2016). J. Alloys Compd. 656, 159–165].
CCDC reference: 2440948
![[Scheme 3D1]](hb4508scheme3D1.gif)
Structure description
The discovery of quasicrystalline compounds in the Mg–Al–Zn systems has stimulated extensive studies (Berthold et al., 2013). The quasicrystalline approximant phase with the composition Mg32Al12Zn37 is characterized by a low Al content (Montagné & Tillard, 2016
). In a wider context, Mg–Al–Zn coatings are important materials for the corrosion protection of steel sheets. By the addition of some specific alloying elements including Al and Mg to zinc, the corrosion resistance and wear response of the zinc-based coatings are considerably enhanced (Yao et al., 2016
). The ratio of zinc to aluminium content is also of significance. Zn and Al are commonly used as alloying elements to enhance the mechanical properties of Mg alloys due to their strong solid solution-strengthening effects (Zhang et al., 2022
). As a result of proper Zn/Al ratio control, significant reduction, or elimination of the thermally unstable Mg17Al12 from the phase composition, Mg–Al–Zn (ZA) alloys are designed to demonstrate creep resistance and high-temperature mechanical capabilities (Edoziuno et al., 2024
).
In the present study, a cubic phase with a = 14.2100 (8) Å in Im with composition Mg20.66Al12.24Zn20.04 has been established based on the process by single-crystal X-ray diffraction, and its chemical composition is in accordance with the EDX results (see the supporting information).
The . There are seven metal-atom sites: three are occupied by aluminium and zinc, one by zinc and magnesium and three by magnesium (two partially occupied). The environments of the Zn2/Al2 sites are delineated in Fig. 2
. The Zn2/Al2 is located at a position with m.. (multiplicity 24, Wyckoff letter g). The central Zn2/Al2 atom is surrounded by four Zn3/Al3 atoms (1, 48 h), two Mg3 atoms (.3., 16 f), one Mg2 atom (mm2.., 12 e), one Zn1/Al1 atom (m.., 24 g), one Mg1/Zn4 atom (m2.., 12 e), and three Mg4 atoms (m.., 24 g), which collectively define a icosahedron.
![]() | Figure 1 The crystal structure of Mg20.66Al12.24Zn20.04 (one unit cell), with displacement ellipsoids drawn at the 99% probability level. |
![]() | Figure 2 (a) the environment of the Zn2/Al2 atom with displacement ellipsoids given at the 99% probability level; (b) The icosahedron formed around the Zn2/Al2 atom at the 24 g site. [Symmetry codes: (iv) −y, z, −x; (v) y, z, x; (vi) −x, y, z; (vii) −y + |
Synthesis and crystallization
Magnesium (99.5% purity; 0.2241 g), aluminium (99.5% purity; 0.1125 g) and zinc (99.5% purity; 0.06633 g) were mixed in a stoichiometric ratio of 6:5:1 and ground in an agate mortar. Subsequently, the blended powder was placed in a carbide grinding die with a diameter of 5 mm and pressed into a tablet at approximately 4 MPa for 1 min to give a cylindrical block that exhibited no signs of deformation or cracking. Further details regarding the high-pressure sintering experiment utilizing the hexanol high-temperature and high-pressure apparatus can be found in the published literature (Liu & Fan, 2018). The sample was subjected to a pressure of 4 GPa and heated to a temperature of 1073 K for a period of 30 min. The temperature was then reduced to 873 K and maintained for a further 30 min, before being rapidly cooled to room temperature by the deactivation of the furnace power. A grey single crystal was selected and mounted on glass fibres for SXRD measurement.
Refinement
The crystal data, data collection and structure . The Zn1 and Al1 atoms occupy a position in which the Zn1 atom occupancy is 0.840 (8) and the Al1 atom occupancy is 0.160 (8). Zn2 and Al2 atoms occupy a position in which the Zn2 atom occupancy is 0.550 (10) and the Al2 atom occupancy is 0.450 (10). The Zn3 and Al3 atoms coexist in a position where the Zn3 atom occupies 0.540 (8) and the Al3 atom occupies 0.460 (8). The Mg1 and Zn4 atoms coexist in a position where the Mg1 atom occupies 0.931 (3) and the Zn4 atom occupies 0.069 (3). The occupancy of the Mg2 atom is determined to be partial, with an occupancy number of 0.970 (3) whereas Mg3 is fully occupied. Finally, The Mg4 atom is also partially occupied, with an occupation number of 0.970 (2).
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Structural data
CCDC reference: 2440948
https://doi.org/10.1107/S2414314625003062/hb4508sup1.cif
contains datablock I. DOI:Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S2414314625003062/hb4508Isup2.hkl
Supporting information file. DOI: https://doi.org/10.1107/S2414314625003062/hb4508sup3.docx
Mg20.66Al12.24Zn20.04 | Mo Kα radiation, λ = 0.71073 Å |
Mr = 2143.54 | Cell parameters from 2565 reflections |
Cubic, Im3 | θ = 3.2–27.0° |
a = 14.2100 (8) Å | µ = 12.91 mm−1 |
V = 2869.3 (5) Å3 | T = 296 K |
Z = 3 | Lump, gray |
F(000) = 3024 | 0.08 × 0.06 × 0.06 mm |
Dx = 3.719 Mg m−3 |
Bruker D8 Venture Photon 100 CMOS diffractometer | 309 reflections with I > 2σ(I) |
ω scans | Rint = 0.180 |
Absorption correction: multi-scan (SADABS; Krause et al., 2015) | θmax = 25.0°, θmin = 2.9° |
Tmin = 0.496, Tmax = 0.523 | h = −15→16 |
6786 measured reflections | k = −12→16 |
481 independent reflections | l = −16→11 |
Refinement on F2 | Primary atom site location: dual |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0585P)2] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.061 | (Δ/σ)max < 0.001 |
wR(F2) = 0.129 | Δρmax = 1.21 e Å−3 |
S = 1.08 | Δρmin = −0.89 e Å−3 |
481 reflections | Extinction correction: SHELXL2018/3 (Sheldrick, 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
46 parameters | Extinction coefficient: 0.00051 (13) |
0 restraints |
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. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Zn1 | 0.000000 | 0.15105 (13) | 0.09251 (13) | 0.0126 (8) | 0.84 (3) |
Al1 | 0.000000 | 0.15105 (13) | 0.09251 (13) | 0.0126 (8) | 0.16 (3) |
Zn2 | 0.000000 | 0.30698 (17) | 0.17872 (18) | 0.0151 (10) | 0.55 (3) |
Al2 | 0.000000 | 0.30698 (17) | 0.17872 (18) | 0.0151 (10) | 0.45 (3) |
Zn3 | 0.15796 (13) | 0.40335 (12) | 0.19039 (12) | 0.0176 (8) | 0.54 (3) |
Al3 | 0.15796 (13) | 0.40335 (12) | 0.19039 (12) | 0.0176 (8) | 0.46 (3) |
Mg1 | 0.4025 (5) | 0.500000 | 0.000000 | 0.022 (3) | 0.931 (17) |
Zn4 | 0.4025 (5) | 0.500000 | 0.000000 | 0.022 (3) | 0.069 (17) |
Mg2 | 0.1978 (5) | 0.500000 | 0.000000 | 0.021 (3) | 0.97 (3) |
Mg3 | 0.1861 (3) | 0.1861 (3) | 0.1861 (3) | 0.021 (3) | |
Mg4 | 0.000000 | 0.1164 (4) | 0.3006 (4) | 0.018 (2) | 0.97 (2) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Zn1 | 0.0111 (12) | 0.0147 (14) | 0.0120 (13) | 0.000 | 0.000 | −0.0005 (9) |
Al1 | 0.0111 (12) | 0.0147 (14) | 0.0120 (13) | 0.000 | 0.000 | −0.0005 (9) |
Zn2 | 0.0154 (16) | 0.0134 (16) | 0.0166 (17) | 0.000 | 0.000 | −0.0035 (12) |
Al2 | 0.0154 (16) | 0.0134 (16) | 0.0166 (17) | 0.000 | 0.000 | −0.0035 (12) |
Zn3 | 0.0158 (13) | 0.0166 (12) | 0.0203 (12) | −0.0007 (9) | 0.0011 (8) | 0.0023 (8) |
Al3 | 0.0158 (13) | 0.0166 (12) | 0.0203 (12) | −0.0007 (9) | 0.0011 (8) | 0.0023 (8) |
Mg1 | 0.019 (5) | 0.020 (5) | 0.028 (5) | 0.000 | 0.000 | 0.000 |
Zn4 | 0.019 (5) | 0.020 (5) | 0.028 (5) | 0.000 | 0.000 | 0.000 |
Mg2 | 0.016 (5) | 0.027 (6) | 0.019 (6) | 0.000 | 0.000 | 0.000 |
Mg3 | 0.021 (3) | 0.021 (3) | 0.021 (3) | 0.0024 (18) | 0.0024 (18) | 0.0024 (18) |
Mg4 | 0.014 (4) | 0.021 (4) | 0.019 (4) | 0.000 | 0.000 | 0.004 (3) |
Zn1—Zn2 | 2.532 (3) | Al2—Mg3vi | 3.1553 (19) |
Zn1—Zn1i | 2.629 (4) | Al2—Mg4 | 3.214 (6) |
Zn1—Zn1ii | 2.651 (2) | Al2—Mg2vii | 3.256 (5) |
Zn1—Zn1iii | 2.651 (2) | Zn3—Zn3vii | 2.6790 (18) |
Zn1—Zn1iv | 2.651 (2) | Zn3—Zn3ix | 2.6791 (18) |
Zn1—Zn1v | 2.651 (2) | Zn3—Zn3x | 2.747 (3) |
Zn1—Mg4v | 2.997 (5) | Zn3—Mg1vii | 2.944 (3) |
Zn1—Mg4iv | 2.997 (5) | Zn3—Mg2vii | 3.074 (4) |
Zn1—Mg4 | 2.998 (6) | Zn3—Mg2 | 3.087 (2) |
Zn1—Mg3 | 3.002 (6) | Zn3—Mg3xi | 3.099 (4) |
Zn1—Mg3vi | 3.002 (6) | Zn3—Mg3 | 3.113 (4) |
Al1—Al2 | 2.532 (3) | Zn3—Mg4ix | 3.125 (5) |
Al1—Mg4v | 2.997 (5) | Zn3—Mg4v | 3.130 (3) |
Al1—Mg4iv | 2.997 (5) | Al3—Mg2vii | 3.074 (4) |
Al1—Mg4 | 2.998 (6) | Al3—Mg2 | 3.087 (2) |
Al1—Mg3 | 3.002 (6) | Al3—Mg3xi | 3.099 (4) |
Al1—Mg3vi | 3.002 (6) | Al3—Mg3 | 3.113 (4) |
Zn2—Zn3 | 2.635 (2) | Al3—Mg4ix | 3.125 (5) |
Zn2—Zn3vi | 2.635 (2) | Al3—Mg4v | 3.130 (3) |
Zn2—Zn3vii | 2.697 (3) | Mg1—Mg1xii | 2.771 (13) |
Zn2—Zn3viii | 2.697 (3) | Mg1—Mg2 | 2.909 (10) |
Zn2—Mg1vii | 2.976 (4) | Mg1—Mg2xiii | 3.134 (7) |
Zn2—Mg4iv | 3.032 (4) | Mg1—Mg2ix | 3.134 (7) |
Zn2—Mg4v | 3.032 (4) | Mg1—Mg4xiv | 3.562 (5) |
Zn2—Mg3 | 3.1553 (19) | Mg1—Mg4xv | 3.562 (5) |
Zn2—Mg3vi | 3.1553 (19) | Zn4—Mg2 | 2.909 (10) |
Zn2—Mg4 | 3.214 (6) | Zn4—Mg2xiii | 3.134 (7) |
Zn2—Mg2vii | 3.256 (5) | Zn4—Mg2ix | 3.134 (7) |
Al2—Al3 | 2.635 (2) | Mg2—Mg4v | 3.060 (6) |
Al2—Mg4iv | 3.032 (4) | Mg2—Mg4xvi | 3.060 (6) |
Al2—Mg4v | 3.032 (4) | Mg3—Mg3xi | 3.144 (13) |
Al2—Mg3 | 3.1553 (19) | ||
Zn2—Zn1—Zn1i | 118.94 (7) | Mg1xii—Mg1—Mg2 | 180.0 |
Zn2—Zn1—Zn1ii | 123.83 (7) | Mg1xii—Mg1—Zn3xvii | 116.64 (12) |
Zn1i—Zn1—Zn1ii | 108.29 (5) | Mg2—Mg1—Zn3xvii | 63.36 (12) |
Zn2—Zn1—Zn1iii | 123.83 (7) | Mg1xii—Mg1—Zn3xviii | 116.64 (12) |
Zn1i—Zn1—Zn1iii | 108.29 (5) | Mg2—Mg1—Zn3xviii | 63.36 (12) |
Zn1ii—Zn1—Zn1iii | 59.45 (10) | Zn3xvii—Mg1—Zn3xviii | 126.7 (2) |
Zn2—Zn1—Zn1iv | 120.97 (4) | Mg1xii—Mg1—Zn3ix | 116.64 (12) |
Zn1i—Zn1—Zn1iv | 60.27 (5) | Mg2—Mg1—Zn3ix | 63.36 (12) |
Zn1ii—Zn1—Zn1iv | 60.0 | Zn3xvii—Mg1—Zn3ix | 55.62 (9) |
Zn1iii—Zn1—Zn1iv | 107.64 (6) | Zn3xviii—Mg1—Zn3ix | 99.36 (15) |
Zn2—Zn1—Zn1v | 120.97 (4) | Mg1xii—Mg1—Zn3xix | 116.64 (12) |
Zn1i—Zn1—Zn1v | 60.27 (5) | Mg2—Mg1—Zn3xix | 63.36 (12) |
Zn1ii—Zn1—Zn1v | 107.64 (6) | Zn3xvii—Mg1—Zn3xix | 99.36 (15) |
Zn1iii—Zn1—Zn1v | 60.0 | Zn3xviii—Mg1—Zn3xix | 55.62 (9) |
Zn1iv—Zn1—Zn1v | 108.13 (2) | Zn3ix—Mg1—Zn3xix | 126.7 (2) |
Zn2—Zn1—Mg4v | 65.90 (10) | Mg1xii—Mg1—Zn2xix | 112.82 (13) |
Zn1i—Zn1—Mg4v | 63.98 (6) | Mg2—Mg1—Zn2xix | 67.18 (13) |
Zn1ii—Zn1—Mg4v | 170.25 (9) | Zn3xvii—Mg1—Zn2xix | 52.85 (6) |
Zn1iii—Zn1—Mg4v | 115.98 (11) | Zn3xviii—Mg1—Zn2xix | 104.84 (14) |
Zn1iv—Zn1—Mg4v | 116.87 (11) | Zn3ix—Mg1—Zn2xix | 104.84 (14) |
Zn1v—Zn1—Mg4v | 63.77 (12) | Zn3xix—Mg1—Zn2xix | 52.85 (6) |
Zn2—Zn1—Mg4iv | 65.90 (10) | Mg1xii—Mg1—Zn2ix | 112.82 (13) |
Zn1i—Zn1—Mg4iv | 63.98 (6) | Mg2—Mg1—Zn2ix | 67.18 (13) |
Zn1ii—Zn1—Mg4iv | 115.98 (11) | Zn3xvii—Mg1—Zn2ix | 104.84 (14) |
Zn1iii—Zn1—Mg4iv | 170.25 (9) | Zn3xviii—Mg1—Zn2ix | 52.85 (6) |
Zn1iv—Zn1—Mg4iv | 63.77 (12) | Zn3ix—Mg1—Zn2ix | 52.85 (6) |
Zn1v—Zn1—Mg4iv | 116.87 (11) | Zn3xix—Mg1—Zn2ix | 104.84 (14) |
Mg4v—Zn1—Mg4iv | 67.0 (2) | Zn2xix—Mg1—Zn2ix | 134.4 (3) |
Zn2—Zn1—Mg4 | 70.51 (12) | Mg1xii—Mg1—Mg2xiii | 63.76 (12) |
Zn1i—Zn1—Mg4 | 170.56 (11) | Mg2—Mg1—Mg2xiii | 116.24 (12) |
Zn1ii—Zn1—Mg4 | 63.74 (12) | Zn3xvii—Mg1—Mg2xiii | 151.90 (3) |
Zn1iii—Zn1—Mg4 | 63.74 (11) | Zn3xviii—Mg1—Mg2xiii | 60.94 (6) |
Zn1iv—Zn1—Mg4 | 115.95 (8) | Zn3ix—Mg1—Mg2xiii | 151.90 (3) |
Zn1v—Zn1—Mg4 | 115.95 (8) | Zn3xix—Mg1—Mg2xiii | 60.94 (6) |
Mg4v—Zn1—Mg4 | 123.30 (13) | Zn2xix—Mg1—Mg2xiii | 99.87 (3) |
Mg4iv—Zn1—Mg4 | 123.30 (13) | Zn2ix—Mg1—Mg2xiii | 99.87 (3) |
Zn2—Zn1—Mg3 | 68.92 (7) | Mg1xii—Mg1—Mg2ix | 63.76 (12) |
Zn1i—Zn1—Mg3 | 116.30 (4) | Mg2—Mg1—Mg2ix | 116.24 (12) |
Zn1ii—Zn1—Mg3 | 115.61 (10) | Zn3xvii—Mg1—Mg2ix | 60.94 (6) |
Zn1iii—Zn1—Mg3 | 63.80 (6) | Zn3xviii—Mg1—Mg2ix | 151.90 (3) |
Zn1iv—Zn1—Mg3 | 170.11 (8) | Zn3ix—Mg1—Mg2ix | 60.94 (6) |
Zn1v—Zn1—Mg3 | 63.80 (6) | Zn3xix—Mg1—Mg2ix | 151.90 (3) |
Mg4v—Zn1—Mg3 | 65.81 (8) | Zn2xix—Mg1—Mg2ix | 99.87 (3) |
Mg4iv—Zn1—Mg3 | 124.26 (13) | Zn2ix—Mg1—Mg2ix | 99.87 (3) |
Mg4—Zn1—Mg3 | 65.80 (4) | Mg2xiii—Mg1—Mg2ix | 127.5 (2) |
Zn2—Zn1—Mg3vi | 68.92 (7) | Mg1xii—Mg1—Mg4xiv | 67.11 (11) |
Zn1i—Zn1—Mg3vi | 116.30 (4) | Mg2—Mg1—Mg4xiv | 112.89 (11) |
Zn1ii—Zn1—Mg3vi | 63.80 (6) | Zn3xvii—Mg1—Mg4xiv | 154.12 (10) |
Zn1iii—Zn1—Mg3vi | 115.61 (10) | Zn3xviii—Mg1—Mg4xiv | 56.57 (6) |
Zn1iv—Zn1—Mg3vi | 63.80 (6) | Zn3ix—Mg1—Mg4xiv | 99.06 (9) |
Zn1v—Zn1—Mg3vi | 170.11 (8) | Zn3xix—Mg1—Mg4xiv | 101.03 (9) |
Mg4v—Zn1—Mg3vi | 124.26 (13) | Zn2xix—Mg1—Mg4xiv | 152.15 (9) |
Mg4iv—Zn1—Mg3vi | 65.81 (8) | Zn2ix—Mg1—Mg4xiv | 54.38 (7) |
Mg4—Zn1—Mg3vi | 65.80 (4) | Mg2xiii—Mg1—Mg4xiv | 53.94 (10) |
Mg3—Zn1—Mg3vi | 123.52 (12) | Mg2ix—Mg1—Mg4xiv | 104.16 (15) |
Al2—Al1—Mg4v | 65.90 (10) | Mg1xii—Mg1—Mg4xv | 67.11 (11) |
Al2—Al1—Mg4iv | 65.90 (10) | Mg2—Mg1—Mg4xv | 112.89 (11) |
Mg4v—Al1—Mg4iv | 67.0 (2) | Zn3xvii—Mg1—Mg4xv | 56.57 (6) |
Al2—Al1—Mg4 | 70.51 (12) | Zn3xviii—Mg1—Mg4xv | 154.12 (10) |
Mg4v—Al1—Mg4 | 123.30 (13) | Zn3ix—Mg1—Mg4xv | 101.03 (9) |
Mg4iv—Al1—Mg4 | 123.30 (13) | Zn3xix—Mg1—Mg4xv | 99.06 (9) |
Al2—Al1—Mg3 | 68.92 (7) | Zn2xix—Mg1—Mg4xv | 54.38 (7) |
Mg4v—Al1—Mg3 | 65.81 (8) | Zn2ix—Mg1—Mg4xv | 152.15 (9) |
Mg4iv—Al1—Mg3 | 124.26 (13) | Mg2xiii—Mg1—Mg4xv | 104.16 (15) |
Mg4—Al1—Mg3 | 65.80 (4) | Mg2ix—Mg1—Mg4xv | 53.94 (10) |
Mg4v—Al1—Mg3vi | 124.26 (13) | Mg4xiv—Mg1—Mg4xv | 134.2 (2) |
Mg4iv—Al1—Mg3vi | 65.81 (8) | Mg2—Zn4—Mg2xiii | 116.24 (12) |
Mg4—Al1—Mg3vi | 65.80 (4) | Mg2—Zn4—Mg2ix | 116.24 (12) |
Mg3—Al1—Mg3vi | 123.52 (12) | Mg2xiii—Zn4—Mg2ix | 127.5 (2) |
Zn1—Zn2—Zn3 | 119.04 (7) | Zn4—Mg2—Mg4v | 112.20 (17) |
Zn1—Zn2—Zn3vi | 119.04 (7) | Mg1—Mg2—Mg4v | 112.20 (17) |
Zn3—Zn2—Zn3vi | 116.85 (12) | Zn4—Mg2—Mg4xvi | 112.20 (17) |
Zn1—Zn2—Zn3vii | 115.37 (9) | Mg1—Mg2—Mg4xvi | 112.20 (17) |
Zn3—Zn2—Zn3vii | 60.31 (5) | Mg4v—Mg2—Mg4xvi | 135.6 (3) |
Zn3vi—Zn2—Zn3vii | 111.87 (10) | Zn4—Mg2—Zn3xviii | 58.88 (12) |
Zn1—Zn2—Zn3viii | 115.37 (9) | Mg1—Mg2—Zn3xviii | 58.88 (12) |
Zn3—Zn2—Zn3viii | 111.87 (10) | Mg4v—Mg2—Zn3xviii | 150.62 (9) |
Zn3vi—Zn2—Zn3viii | 60.32 (5) | Mg4xvi—Mg2—Zn3xviii | 61.26 (10) |
Zn3vii—Zn2—Zn3viii | 61.22 (10) | Zn4—Mg2—Zn3xix | 58.88 (12) |
Zn1—Zn2—Mg1vii | 128.24 (15) | Mg1—Mg2—Zn3xix | 58.88 (12) |
Zn3—Zn2—Mg1vii | 62.96 (7) | Mg4v—Mg2—Zn3xix | 150.62 (9) |
Zn3vi—Zn2—Mg1vii | 62.96 (7) | Mg4xvi—Mg2—Zn3xix | 61.26 (10) |
Zn3vii—Zn2—Mg1vii | 108.72 (12) | Zn3xviii—Mg2—Zn3xix | 53.08 (9) |
Zn3viii—Zn2—Mg1vii | 108.72 (12) | Zn4—Mg2—Zn3xvii | 58.88 (12) |
Zn1—Zn2—Mg4iv | 64.44 (12) | Mg1—Mg2—Zn3xvii | 58.88 (12) |
Zn3—Zn2—Mg4iv | 122.22 (13) | Mg4v—Mg2—Zn3xvii | 61.26 (10) |
Zn3vi—Zn2—Mg4iv | 66.64 (10) | Mg4xvi—Mg2—Zn3xvii | 150.62 (9) |
Zn3vii—Zn2—Mg4iv | 177.37 (12) | Zn3xviii—Mg2—Zn3xvii | 117.8 (2) |
Zn3viii—Zn2—Mg4iv | 116.31 (9) | Zn3xix—Mg2—Zn3xvii | 93.81 (17) |
Mg1vii—Zn2—Mg4iv | 72.71 (14) | Zn4—Mg2—Zn3ix | 58.88 (12) |
Zn1—Zn2—Mg4v | 64.44 (12) | Mg1—Mg2—Zn3ix | 58.88 (12) |
Zn3—Zn2—Mg4v | 66.64 (10) | Mg4v—Mg2—Zn3ix | 61.26 (10) |
Zn3vi—Zn2—Mg4v | 122.22 (13) | Mg4xvi—Mg2—Zn3ix | 150.62 (9) |
Zn3vii—Zn2—Mg4v | 116.31 (9) | Zn3xviii—Mg2—Zn3ix | 93.81 (17) |
Zn3viii—Zn2—Mg4v | 177.37 (12) | Zn3xix—Mg2—Zn3ix | 117.8 (2) |
Mg1vii—Zn2—Mg4v | 72.71 (14) | Zn3xvii—Mg2—Zn3ix | 53.08 (9) |
Mg4iv—Zn2—Mg4v | 66.13 (18) | Mg1—Mg2—Zn3i | 100.57 (14) |
Zn1—Zn2—Mg3 | 62.60 (13) | Mg4v—Mg2—Zn3i | 61.23 (6) |
Zn3—Zn2—Mg3 | 64.32 (11) | Mg4xvi—Mg2—Zn3i | 110.04 (12) |
Zn3vi—Zn2—Mg3 | 174.25 (12) | Zn3xviii—Mg2—Zn3i | 144.24 (15) |
Zn3vii—Zn2—Mg3 | 63.38 (11) | Zn3xix—Mg2—Zn3i | 91.61 (5) |
Zn3viii—Zn2—Mg3 | 113.93 (10) | Zn3xvii—Mg2—Zn3i | 51.56 (6) |
Mg1vii—Zn2—Mg3 | 120.97 (7) | Zn3ix—Mg2—Zn3i | 99.30 (6) |
Mg4iv—Zn2—Mg3 | 117.97 (16) | Mg1—Mg2—Zn3x | 100.57 (14) |
Mg4v—Zn2—Mg3 | 63.53 (10) | Mg4v—Mg2—Zn3x | 110.04 (12) |
Zn1—Zn2—Mg3vi | 62.60 (13) | Mg4xvi—Mg2—Zn3x | 61.23 (6) |
Zn3—Zn2—Mg3vi | 174.25 (12) | Zn3xviii—Mg2—Zn3x | 51.56 (6) |
Zn3vi—Zn2—Mg3vi | 64.32 (11) | Zn3xix—Mg2—Zn3x | 99.30 (6) |
Zn3vii—Zn2—Mg3vi | 113.93 (10) | Zn3xvii—Mg2—Zn3x | 144.24 (15) |
Zn3viii—Zn2—Mg3vi | 63.38 (11) | Zn3ix—Mg2—Zn3x | 91.61 (5) |
Mg1vii—Zn2—Mg3vi | 120.97 (7) | Zn3i—Mg2—Zn3x | 158.9 (3) |
Mg4iv—Zn2—Mg3vi | 63.53 (10) | Mg1—Mg2—Zn3xx | 100.57 (14) |
Mg4v—Zn2—Mg3vi | 117.97 (16) | Mg4v—Mg2—Zn3xx | 110.04 (12) |
Mg3—Zn2—Mg3vi | 113.9 (2) | Mg4xvi—Mg2—Zn3xx | 61.23 (6) |
Zn1—Zn2—Mg4 | 61.54 (11) | Zn3xviii—Mg2—Zn3xx | 99.30 (6) |
Zn3—Zn2—Mg4 | 113.83 (8) | Zn3xix—Mg2—Zn3xx | 51.56 (6) |
Zn3vi—Zn2—Mg4 | 113.82 (8) | Zn3xvii—Mg2—Zn3xx | 91.61 (5) |
Zn3vii—Zn2—Mg4 | 63.13 (10) | Zn3ix—Mg2—Zn3xx | 144.24 (15) |
Zn3viii—Zn2—Mg4 | 63.13 (10) | Zn3i—Mg2—Zn3xx | 52.84 (7) |
Mg1vii—Zn2—Mg4 | 170.22 (18) | Zn3x—Mg2—Zn3xx | 122.46 (11) |
Mg4iv—Zn2—Mg4 | 115.22 (17) | Mg1—Mg2—Zn3 | 100.57 (14) |
Mg4v—Zn2—Mg4 | 115.22 (17) | Mg4v—Mg2—Zn3 | 61.23 (6) |
Mg3—Zn2—Mg4 | 61.54 (6) | Mg4xvi—Mg2—Zn3 | 110.04 (12) |
Mg3vi—Zn2—Mg4 | 61.55 (6) | Zn3xviii—Mg2—Zn3 | 91.61 (5) |
Zn1—Zn2—Mg2vii | 176.33 (15) | Zn3xix—Mg2—Zn3 | 144.23 (15) |
Zn3—Zn2—Mg2vii | 61.85 (7) | Zn3xvii—Mg2—Zn3 | 99.30 (6) |
Zn3vi—Zn2—Mg2vii | 61.85 (7) | Zn3ix—Mg2—Zn3 | 51.56 (6) |
Zn3vii—Zn2—Mg2vii | 61.62 (11) | Zn3i—Mg2—Zn3 | 122.46 (11) |
Zn3viii—Zn2—Mg2vii | 61.62 (11) | Zn3x—Mg2—Zn3 | 52.84 (7) |
Mg1vii—Zn2—Mg2vii | 55.43 (17) | Zn3xx—Mg2—Zn3 | 158.9 (3) |
Mg4iv—Zn2—Mg2vii | 118.46 (14) | Al1—Mg3—Zn1v | 52.40 (12) |
Mg4v—Zn2—Mg2vii | 118.46 (14) | Zn1—Mg3—Zn1v | 52.40 (12) |
Mg3—Zn2—Mg2vii | 116.13 (13) | Al1—Mg3—Zn1iii | 52.40 (12) |
Mg3vi—Zn2—Mg2vii | 116.13 (13) | Zn1—Mg3—Zn1iii | 52.40 (12) |
Mg4—Zn2—Mg2vii | 114.79 (17) | Zn1v—Mg3—Zn1iii | 52.40 (12) |
Al1—Al2—Al3 | 119.04 (7) | Al1—Mg3—Zn3vii | 92.83 (7) |
Al1—Al2—Mg4iv | 64.44 (12) | Zn1—Mg3—Zn3vii | 92.83 (7) |
Al3—Al2—Mg4iv | 122.22 (13) | Zn1v—Mg3—Zn3vii | 144.35 (15) |
Al1—Al2—Mg4v | 64.44 (12) | Zn1iii—Mg3—Zn3vii | 115.83 (9) |
Al3—Al2—Mg4v | 66.64 (10) | Al1—Mg3—Zn3ix | 115.83 (9) |
Mg4iv—Al2—Mg4v | 66.13 (18) | Zn1—Mg3—Zn3ix | 115.83 (9) |
Al1—Al2—Mg3 | 62.60 (13) | Zn1v—Mg3—Zn3ix | 92.83 (7) |
Al3—Al2—Mg3 | 64.32 (11) | Zn1iii—Mg3—Zn3ix | 144.35 (15) |
Mg4iv—Al2—Mg3 | 117.97 (16) | Zn3vii—Mg3—Zn3ix | 96.94 (15) |
Mg4v—Al2—Mg3 | 63.53 (10) | Zn1—Mg3—Zn3xi | 144.35 (15) |
Mg4iv—Al2—Mg3vi | 63.53 (10) | Zn1v—Mg3—Zn3xi | 115.83 (9) |
Mg4v—Al2—Mg3vi | 117.97 (16) | Zn1iii—Mg3—Zn3xi | 92.83 (7) |
Mg3—Al2—Mg3vi | 113.9 (2) | Zn3vii—Mg3—Zn3xi | 96.94 (15) |
Al1—Al2—Mg4 | 61.54 (11) | Zn3ix—Mg3—Zn3xi | 96.94 (15) |
Al3—Al2—Mg4 | 113.83 (8) | Al1—Mg3—Zn3v | 145.06 (15) |
Mg4iv—Al2—Mg4 | 115.22 (17) | Zn1—Mg3—Zn3v | 145.06 (15) |
Mg4v—Al2—Mg4 | 115.22 (17) | Zn1v—Mg3—Zn3v | 93.44 (7) |
Mg3—Al2—Mg4 | 61.54 (6) | Zn1iii—Mg3—Zn3v | 115.79 (8) |
Mg3vi—Al2—Mg4 | 61.55 (6) | Zn3vii—Mg3—Zn3v | 119.2 (2) |
Mg4iv—Al2—Mg2vii | 118.46 (14) | Zn3ix—Mg3—Zn3v | 51.09 (6) |
Mg4v—Al2—Mg2vii | 118.46 (14) | Zn3xi—Mg3—Zn3v | 51.09 (6) |
Mg3—Al2—Mg2vii | 116.13 (13) | Al1—Mg3—Zn3iii | 115.79 (8) |
Mg3vi—Al2—Mg2vii | 116.13 (13) | Zn1—Mg3—Zn3iii | 115.79 (8) |
Mg4—Al2—Mg2vii | 114.79 (17) | Zn1v—Mg3—Zn3iii | 145.06 (15) |
Zn2—Zn3—Zn3vii | 61.00 (9) | Zn1iii—Mg3—Zn3iii | 93.44 (7) |
Zn2—Zn3—Zn3ix | 119.01 (11) | Zn3vii—Mg3—Zn3iii | 51.09 (6) |
Zn3vii—Zn3—Zn3ix | 119.988 (3) | Zn3ix—Mg3—Zn3iii | 119.2 (2) |
Zn2—Zn3—Zn2ix | 177.08 (10) | Zn3xi—Mg3—Zn3iii | 51.09 (6) |
Zn3vii—Zn3—Zn2ix | 121.46 (10) | Zn3v—Mg3—Zn3iii | 96.36 (15) |
Zn3ix—Zn3—Zn2ix | 58.69 (8) | Zn1—Mg3—Zn3 | 93.44 (7) |
Zn2—Zn3—Zn3x | 121.32 (6) | Zn1v—Mg3—Zn3 | 115.79 (8) |
Zn3vii—Zn3—Zn3x | 119.82 (6) | Zn1iii—Mg3—Zn3 | 145.06 (15) |
Zn3ix—Zn3—Zn3x | 108.98 (5) | Zn3vii—Mg3—Zn3 | 51.09 (6) |
Zn2ix—Zn3—Zn3x | 59.39 (5) | Zn3ix—Mg3—Zn3 | 51.10 (6) |
Zn2—Zn3—Mg1vii | 64.19 (7) | Zn3xi—Mg3—Zn3 | 119.2 (2) |
Zn3vii—Zn3—Mg1vii | 110.16 (12) | Zn3v—Mg3—Zn3 | 96.36 (15) |
Zn3ix—Zn3—Mg1vii | 122.82 (14) | Zn3iii—Mg3—Zn3 | 96.36 (15) |
Zn2ix—Zn3—Mg1vii | 115.14 (7) | Al1—Mg3—Al3 | 93.44 (7) |
Zn3x—Zn3—Mg1vii | 62.19 (4) | Zn1—Mg3—Mg3xi | 149.35 (7) |
Zn2—Zn3—Mg2vii | 69.06 (8) | Zn1v—Mg3—Mg3xi | 149.35 (7) |
Zn3vii—Zn3—Mg2vii | 64.47 (11) | Zn1iii—Mg3—Mg3xi | 149.35 (7) |
Zn3ix—Zn3—Mg2vii | 171.76 (10) | Zn3vii—Mg3—Mg3xi | 59.82 (11) |
Zn2ix—Zn3—Mg2vii | 113.19 (8) | Zn3ix—Mg3—Mg3xi | 59.82 (11) |
Zn3x—Zn3—Mg2vii | 63.46 (5) | Zn3xi—Mg3—Mg3xi | 59.82 (11) |
Mg1vii—Zn3—Mg2vii | 57.76 (17) | Zn3v—Mg3—Mg3xi | 59.37 (11) |
Zn2—Zn3—Mg2 | 109.42 (14) | Zn3iii—Mg3—Mg3xi | 59.37 (11) |
Zn3vii—Zn3—Mg2 | 170.40 (16) | Zn3—Mg3—Mg3xi | 59.37 (11) |
Zn3ix—Zn3—Mg2 | 63.98 (13) | Zn1ii—Mg4—Zn1iii | 52.03 (11) |
Zn2ix—Zn3—Mg2 | 68.14 (13) | Zn1ii—Mg4—Zn1 | 52.49 (11) |
Zn3x—Zn3—Mg2 | 63.58 (4) | Zn1iii—Mg4—Zn1 | 52.49 (11) |
Mg1vii—Zn3—Mg2 | 62.57 (17) | Zn1ii—Mg4—Zn2ii | 49.65 (9) |
Mg2vii—Zn3—Mg2 | 112.84 (5) | Zn1iii—Mg4—Zn2ii | 95.01 (15) |
Zn2—Zn3—Mg3xi | 115.56 (11) | Zn1—Mg4—Zn2ii | 96.84 (13) |
Zn3vii—Zn3—Mg3xi | 64.72 (5) | Al1—Mg4—Zn2ii | 96.84 (13) |
Zn3ix—Zn3—Mg3xi | 64.72 (5) | Zn1ii—Mg4—Zn2iii | 95.01 (15) |
Zn2ix—Zn3—Mg3xi | 65.54 (10) | Zn1iii—Mg4—Zn2iii | 49.65 (9) |
Zn3x—Zn3—Mg3xi | 114.23 (11) | Zn1—Mg4—Zn2iii | 96.84 (13) |
Mg1vii—Zn3—Mg3xi | 172.04 (15) | Al1—Mg4—Zn2iii | 96.84 (13) |
Mg2vii—Zn3—Mg3xi | 114.38 (14) | Zn2ii—Mg4—Zn2iii | 113.75 (18) |
Mg2—Zn3—Mg3xi | 123.21 (14) | Zn1ii—Mg4—Mg2iii | 149.90 (13) |
Zn2—Zn3—Mg3 | 65.98 (10) | Zn1iii—Mg4—Mg2iii | 149.90 (13) |
Zn3vii—Zn3—Mg3 | 64.18 (5) | Zn1—Mg4—Mg2iii | 148.4 (3) |
Zn3ix—Zn3—Mg3 | 64.18 (5) | Al1—Mg4—Mg2iii | 148.4 (3) |
Zn2ix—Zn3—Mg3 | 113.23 (11) | Zn2ii—Mg4—Mg2iii | 100.28 (14) |
Zn3x—Zn3—Mg3 | 172.53 (8) | Zn2iii—Mg4—Mg2iii | 100.28 (14) |
Mg1vii—Zn3—Mg3 | 123.50 (12) | Zn1ii—Mg4—Zn3vii | 144.22 (19) |
Mg2vii—Zn3—Mg3 | 123.16 (7) | Zn1iii—Mg4—Zn3vii | 115.20 (10) |
Mg2—Zn3—Mg3 | 113.61 (8) | Zn1—Mg4—Zn3vii | 92.39 (15) |
Mg3xi—Zn3—Mg3 | 60.8 (2) | Al1—Mg4—Zn3vii | 92.39 (15) |
Zn2—Zn3—Mg4ix | 116.38 (12) | Zn2ii—Mg4—Zn3vii | 147.31 (15) |
Zn3vii—Zn3—Mg4ix | 64.74 (10) | Zn2iii—Mg4—Zn3vii | 96.06 (6) |
Zn3ix—Zn3—Mg4ix | 115.34 (13) | Mg2iii—Mg4—Zn3vii | 59.58 (16) |
Zn2ix—Zn3—Mg4ix | 66.54 (11) | Zn1ii—Mg4—Zn3viii | 115.20 (10) |
Zn3x—Zn3—Mg4ix | 63.93 (5) | Zn1iii—Mg4—Zn3viii | 144.22 (19) |
Mg1vii—Zn3—Mg4ix | 109.42 (14) | Zn1—Mg4—Zn3viii | 92.39 (15) |
Mg2vii—Zn3—Mg4ix | 59.16 (14) | Zn2ii—Mg4—Zn3viii | 96.06 (6) |
Mg2—Zn3—Mg4ix | 122.67 (9) | Zn2iii—Mg4—Zn3viii | 147.31 (15) |
Mg3xi—Zn3—Mg4ix | 63.15 (12) | Mg2iii—Mg4—Zn3viii | 59.58 (16) |
Mg3—Zn3—Mg4ix | 115.37 (12) | Zn3vii—Mg4—Zn3viii | 52.13 (11) |
Zn2—Zn3—Mg4v | 62.78 (11) | Zn1ii—Mg4—Zn3iii | 144.48 (15) |
Zn3vii—Zn3—Mg4v | 113.70 (12) | Zn1iii—Mg4—Zn3iii | 93.19 (7) |
Zn3ix—Zn3—Mg4v | 64.55 (12) | Zn1—Mg4—Zn3iii | 115.41 (10) |
Zn2ix—Zn3—Mg4v | 114.31 (12) | Al1—Mg4—Zn3iii | 115.41 (10) |
Zn3x—Zn3—Mg4v | 117.80 (9) | Zn2ii—Mg4—Zn3iii | 144.36 (19) |
Mg1vii—Zn3—Mg4v | 71.72 (13) | Zn2iii—Mg4—Zn3iii | 50.59 (5) |
Mg2vii—Zn3—Mg4v | 121.16 (16) | Mg2iii—Mg4—Zn3iii | 59.80 (9) |
Mg2—Zn3—Mg4v | 58.97 (10) | Zn3vii—Mg4—Zn3iii | 50.71 (7) |
Mg3xi—Zn3—Mg4v | 115.64 (14) | Zn3viii—Mg4—Zn3iii | 97.26 (15) |
Mg3—Zn3—Mg4v | 62.93 (13) | Zn1ii—Mg4—Zn3ii | 93.19 (7) |
Mg4ix—Zn3—Mg4v | 178.26 (11) | Zn1iii—Mg4—Zn3ii | 144.48 (15) |
Al2—Al3—Mg2 | 109.42 (14) | Zn1—Mg4—Zn3ii | 115.41 (10) |
Mg2vii—Al3—Mg2 | 112.84 (5) | Al1—Mg4—Zn3ii | 115.41 (10) |
Mg2vii—Al3—Mg3xi | 114.38 (14) | Zn2ii—Mg4—Zn3ii | 50.59 (5) |
Mg2—Al3—Mg3xi | 123.21 (14) | Zn2iii—Mg4—Zn3ii | 144.36 (19) |
Al2—Al3—Mg3 | 65.98 (10) | Mg2iii—Mg4—Zn3ii | 59.80 (9) |
Mg2vii—Al3—Mg3 | 123.16 (7) | Zn3vii—Mg4—Zn3ii | 97.26 (15) |
Mg2—Al3—Mg3 | 113.61 (8) | Zn3viii—Mg4—Zn3ii | 50.71 (7) |
Mg3xi—Al3—Mg3 | 60.8 (2) | Zn3iii—Mg4—Zn3ii | 119.59 (18) |
Al2—Al3—Mg4ix | 116.38 (12) | Zn1ii—Mg4—Zn2 | 94.76 (15) |
Mg2vii—Al3—Mg4ix | 59.16 (14) | Zn1iii—Mg4—Zn2 | 94.76 (15) |
Mg2—Al3—Mg4ix | 122.67 (9) | Zn1—Mg4—Zn2 | 47.95 (10) |
Mg3xi—Al3—Mg4ix | 63.15 (12) | Zn2ii—Mg4—Zn2 | 118.41 (10) |
Mg3—Al3—Mg4ix | 115.37 (12) | Zn2iii—Mg4—Zn2 | 118.41 (10) |
Al2—Al3—Mg4v | 62.78 (11) | Mg2iii—Mg4—Zn2 | 100.4 (2) |
Mg2vii—Al3—Mg4v | 121.16 (16) | Zn3vii—Mg4—Zn2 | 50.33 (10) |
Mg2—Al3—Mg4v | 58.97 (10) | Zn3viii—Mg4—Zn2 | 50.33 (10) |
Mg3xi—Al3—Mg4v | 115.64 (14) | Zn3iii—Mg4—Zn2 | 95.31 (12) |
Mg3—Al3—Mg4v | 62.93 (13) | Zn3ii—Mg4—Zn2 | 95.31 (12) |
Mg4ix—Al3—Mg4v | 178.26 (11) |
Symmetry codes: (i) x, y, −z; (ii) −z, x, y; (iii) z, x, y; (iv) −y, z, −x; (v) y, z, x; (vi) −x, y, z; (vii) −y+1/2, −z+1/2, −x+1/2; (viii) y−1/2, −z+1/2, −x+1/2; (ix) −z+1/2, −x+1/2, −y+1/2; (x) x, −y+1, z; (xi) −x+1/2, −y+1/2, −z+1/2; (xii) −x+1, −y+1, −z; (xiii) z+1/2, x+1/2, y−1/2; (xiv) x+1/2, y+1/2, −z+1/2; (xv) −x+1/2, −y+1/2, z−1/2; (xvi) y, −z+1, x; (xvii) −z+1/2, −x+1/2, y−1/2; (xviii) −z+1/2, x+1/2, −y+1/2; (xix) −z+1/2, x+1/2, y−1/2; (xx) x, −y+1, −z. |
Funding information
Funding for this research was provided by: The National Natural Science Foundation of China (grant No. 52173231; grant No. 51925105); Hebei Natural Science Foundation (grant No. E2022203182); The Innovation Ability Promotion Project of Hebei supported by Hebei Key Lab for Optimizing Metal Product Technology and Performance (grant No. 22567609H).
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