inorganic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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ISSN: 2414-3146

Magnesium aluminium zinc gallium, Mg61.81Al12.77Zn61.41Ga24

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aState Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, People's Republic of China, bHebei Key Lab for Optimizing Metal Product Technology and Performance, Yanshan University, Qinhuangdao 066004, People's Republic of China, and cSchool of Mechanical and Materials Engineering, North China University of Technology, Beijing, People's Republic of China
*Correspondence e-mail: [email protected]

Edited by S. Bernès, Benemérita Universidad Autónoma de Puebla, México (Received 25 June 2025; accepted 29 August 2025; online 5 September 2025)

The title single-crystal was obtained during the synthesis of a Mg–Al–Zn–Ga alloy, which was achieved by subjecting the alloy to elevated pressures and temperatures. The compound crystallizes in the space group Im3 (No. 204), with seven distinct metal-atom sites. One of these is occupied by gallium, two by aluminium and zinc, one by zinc and magnesium, and three by magnesium. The structure model contains a vacancy-centred Bergman cluster and a 26-face polyhedron centred on one of the magnesium sites. The crystal structure framework in this study shows a marked similarity to previously examined frameworks, but also evinces significant differences [Edagawa et al. (1992). Philos. Mag. B 65, 1011–1023].

3D view (loading...)
[Scheme 3D1]

Structure description

The Mg–Al–Zn–Ga system can serve as a lead-free brazing material, thus it has been extensively investigated. A quasi-crystalline phase Mg39.5Al4.1Zn40.0Ga16.4 has been reported in the Mg–Zn–Al–Ga system. The calorimetric and X-ray diffraction studies suggest that the quasiperiodic phase undergoes an exothermic transformation to an approximate crystalline phase (a = 36.93±0.06, b = 22.83±0.04, and c = 22.96±0.04 Å) at 630 K on heating at a rate of 20 K min−1 (Edagawa et al., 1992View full citation). In another study, the icosa­hedral phase Mg39.5Al14.35Zn40.0Ga6.5 transforms to a 1/1 cubic approximant phase with a = 14.21 Å at 653 K (Edagawa et al., 1993View full citation). It has been established that the two quasicrystalline approximant phases possess identical coordination polyhedra, yet divergent cell parameters.

In the present study, a cubic phase with a = 14.1529 (17) Å in space group ImMathematical equation with composition Mg61.81Al12.77Zn61.41Ga24 has been discovered and refined on the basis of single-crystal X-ray diffraction, and its chemical composition is in accordance with the EDX results (see the supporting information). The unit cell is illustrated in Fig. 1[link]. There are seven metal atom sites: one is occupied by gallium, two are co-occupied by aluminium and zinc, another one co-occupied by zinc and magnesium, and three by magnesium. The crystal structure can be described by two kinds of clusters which are a 26-face polyhedron centred at Mg2, and a Bergman cluster centred at a vacancy site. The environments of the Mg2 site is delineated in Fig. 2[link]. The Mg2 is located at a position with site symmetry mm2.. (multiplicity 12, Wyckoff letter e) and is surrounded by eight Zn3/Al3 atoms (1, 48h), three Mg1/Zn4 atoms (mm2.., 12e), two Zn2/Al2 atoms (m.., 24g), and two Mg4 atoms (m.., 24g). The typical shelled Bergman cluster centred at a virtual non-occupied 2a position includes 12 atoms in the first shell, 20 atoms in the second shell, and 12 atoms in the third shell. The environments of the 2a sites are delineated in Fig. 3[link]. The first shell consists of twelve Ga1 atoms (m.., 24g), the second shell of twelve Mg4 atoms (m.., 24g) and eight Mg3 atoms (.3., 16f), and the third shell of twelve Zn2/Al2 atoms (m.., 24g). The crystal structure also can be described by one cluster which is an icosa­hedral cluster centred at Zn2/Al2. The environment of the Zn2/Al2 site is delineated in Fig. 4[link]. The central Zn2/Al2 site is surrounded by one Ga1 atom (m.., 24g), four Zn3/Al3 atoms (1, 48h), one Mg1/Zn4 atom (mm2.., 12e), one Mg2 atom (mm2.., 12e), two Mg3 atoms (.3., 16f), and three Mg4 atoms (m.., 24g).

[Figure 1]
Figure 1
The crystal structure of Mg61.81Al12.77Zn61.41Ga24 (one unit cell) in a projection along the body diagonal, with displacement ellipsoids drawn at the 99% probability level.
[Figure 2]
Figure 2
(a) The environment of the Mg2 site with displacement ellipsoids given at the 99% probability level; (b) the 26-face polyhedron formed around the Mg2 site at the 12e site [Symmetry codes: (iii) z, x, y; (ix) −y + Mathematical equation, −z + Mathematical equation, −x + Mathematical equation; (xvi) z, −x, −y + 1; (xvii) −y + Mathematical equation, z − Mathematical equation, −x + Mathematical equation; (xviii) −y + Mathematical equation, −z + Mathematical equation, x + Mathematical equation; (xix) −y + Mathematical equation, z − Mathematical equation, x + Mathematical equation; (xx) x, −y, z].
[Figure 3]
Figure 3
The polyhedra around the 2a site with increasing shell size.
[Figure 4]
Figure 4
(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 24g site [Symmetry codes: (ii) −z, x, y; (iii) z, x, y; (vi) −x, y, z; (vii) −z + Mathematical equation, −x + Mathematical equation, −y + Mathematical equation; (viii) z − Mathematical equation, −x + Mathematical equation, −y + Mathematical equation].

The structure described in this paper shares similarities with two previously reported crystal structures in terms of their basic framework. However, there are also significant differences. To compare with the crystal structure model reported by Bergman et al. (1957View full citation): (i) There are no atoms occupying the 2a position in the present model, while it is occupied by a vacancy aluminium atom in their model; (ii) in the present model, the 12e position is co-occupied by zinc and aluminium atoms while it is solely occupied by one magnesium atom in the previous model; (iii) a gallium atom occupies a 24g position in the present model, while there is no atom at the same position in Bergman et al.'s model. To compare with another previously reported structure (Montagné & Tillard, 2016View full citation), the 24g position is jointly occupied by aluminium and zinc atoms, while it is only occupied by a gallium atom in the present refined model, and one aluminium atom occupies one of the 12e positions. However, the structure delineated in this paper deviates from the aforementioned positions in the following ways: firstly, it is devoid of an additional 2a position; secondly, the 12e position is occupied by zinc and aluminium atoms. Additionally, a gallium atom occupies a 24g position. In the previously reported structure (Montagné & Tillard, 2016View full citation) the 24g position was jointly occupied by aluminium and zinc atoms. In contrast, in the crystal structure described in this paper, this position is occupied by a gallium atom.

Synthesis and crystallization

High-purity magnesium (99.90% purity; 0.2186 g), aluminium (99.95% purity; 0.0882 g), gallium (99.90% purity; 0.0976 g) and zinc (99.90% purity; 0.5955 g) were mixed evenly and ground well 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 one minute. The resulting material was a cylindrical block that exhibited no signs of deformation or cracking. Further details regarding the high-pressure sinter­ing experiment utilizing the 1-hexa­nol high-temperature and high-pressure apparatus can be found in elsewhere (Liu & Fan, 2018View full citation). The sample was subjected to a pressure of 4 GPa and heated to a temperature of 1073 K for a period of 30 minutes, before being rapidly cooled to room temperature by the deactivation of the furnace power. A single crystal was selected and mounted on a glass fibre for SXRD measurements.

Refinement

Crystal data, data collection and structure refinement details are summarized in Table 1[link]. Occupancies for atoms sharing the same site were refined: Zn2 and Al2 atoms have site occupancies of 0.833 (15) and 0.167 (15); Zn3 and Al3 atoms coexist in a position with occupancies 0.817 (12) and 0.183 (12); while Mg1 and Zn4 atoms coexist in a position with occupancies 0.818 (16) and 0.182 (16), respectively.

Table 1
Experimental details

Crystal data
Chemical formula Mg61.81Al12.77Zn61.42Ga24
Mr 7535.29
Crystal system, space group Cubic, ImMathematical equation
Temperature (K) 296
a (Å) 14.1529 (17)
V3) 2834.9 (10)
Z 1
Radiation type Mo Kα
μ (mm−1) 18.75
Crystal size (mm) 0.18 × 0.12 × 0.06
 
Data collection
Diffractometer Bruker D8 Venture Photon 100 CMOS
Absorption correction Multi-scan (SADABS; Krause et al., 2015View full citation)
Tmin, Tmax 0.496, 0.523
No. of measured, independent and observed [I > 2σ(I)] reflections 7679, 475, 341
Rint 0.152
(sin θ/λ)max−1) 0.593
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.059, 0.105, 1.14
No. of reflections 475
No. of parameters 42
Δρmax, Δρmin (e Å−3) 1.31, −0.83
Computer programs: APEX5 and SAINT (Bruker, 2023View full citation), SHELXT2018/2 (Sheldrick, 2015aView full citation), SHELXL2018/3 (Sheldrick, 2015bView full citation), DIAMOND (Brandenburg & Putz, 2017View full citation) and publCIF (Westrip, 2010View full citation).

Structural data


Computing details top

Dohexacontamagnesium tridecaaluminium henihexacontazinc tetracosagallium top
Crystal data top
Mg61.81Al12.77Zn61.42Ga24Mo Kα radiation, λ = 0.71073 Å
Mr = 7535.29Cell parameters from 2565 reflections
Cubic, Im3θ = 3.2–27.0°
a = 14.1529 (17) ŵ = 18.75 mm1
V = 2834.9 (10) Å3T = 296 K
Z = 1Lump, grey
F(000) = 34940.18 × 0.12 × 0.06 mm
Dx = 4.414 Mg m3
Data collection top
Bruker D8 Venture Photon 100 CMOS
diffractometer
341 reflections with I > 2σ(I)
phi and ω scansRint = 0.152
Absorption correction: multi-scan
(SADABS; Krause et al., 2015)
θmax = 24.9°, θmin = 2.9°
Tmin = 0.496, Tmax = 0.523h = 1516
7679 measured reflectionsk = 1611
475 independent reflectionsl = 1616
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullPrimary atom site location: dual
R[F2 > 2σ(F2)] = 0.059 w = 1/[σ2(Fo2) + (0.0311P)2 + 65.7834P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.105(Δ/σ)max < 0.001
S = 1.14Δρmax = 1.31 e Å3
475 reflectionsΔρmin = 0.83 e Å3
42 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ga10.0000000.09285 (13)0.15109 (12)0.0124 (7)
Zn20.0000000.17895 (15)0.30668 (15)0.0127 (8)0.833 (15)
Al20.0000000.17895 (15)0.30668 (15)0.0127 (8)0.167 (15)
Zn30.15792 (11)0.19038 (10)0.40335 (10)0.0134 (6)0.817 (12)
Al30.15792 (11)0.19038 (10)0.40335 (10)0.0134 (6)0.183 (12)
Mg10.4030 (4)0.0000000.5000000.014 (2)0.818 (16)
Zn40.4030 (4)0.0000000.5000000.014 (2)0.182 (16)
Mg20.1989 (6)0.0000000.5000000.019 (2)
Mg30.1861 (3)0.1861 (3)0.1861 (3)0.0126 (17)
Mg40.0000000.3005 (4)0.1170 (4)0.0104 (14)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ga10.0134 (11)0.0112 (12)0.0125 (12)0.0000.0000.0002 (8)
Zn20.0151 (14)0.0119 (14)0.0109 (13)0.0000.0000.0025 (10)
Al20.0151 (14)0.0119 (14)0.0109 (13)0.0000.0000.0025 (10)
Zn30.0108 (10)0.0152 (10)0.0142 (10)0.0009 (7)0.0005 (7)0.0004 (7)
Al30.0108 (10)0.0152 (10)0.0142 (10)0.0009 (7)0.0005 (7)0.0004 (7)
Mg10.009 (4)0.020 (4)0.012 (4)0.0000.0000.000
Zn40.009 (4)0.020 (4)0.012 (4)0.0000.0000.000
Mg20.013 (5)0.021 (5)0.022 (5)0.0000.0000.000
Mg30.0126 (17)0.0126 (17)0.0126 (17)0.0002 (17)0.0002 (17)0.0002 (17)
Mg40.009 (3)0.011 (3)0.010 (3)0.0000.0000.002 (2)
Geometric parameters (Å, º) top
Ga1—Al22.517 (3)Al2—Mg2vii3.236 (5)
Ga1—Zn22.517 (3)Zn3—Zn3ix2.6686 (15)
Ga1—Ga1i2.628 (4)Zn3—Zn3vii2.6687 (15)
Ga1—Ga1ii2.642 (2)Zn3—Zn3x2.736 (3)
Ga1—Ga1iii2.642 (2)Zn3—Mg1vii2.934 (3)
Ga1—Ga1iv2.642 (2)Zn3—Mg2vii3.053 (4)
Ga1—Ga1v2.642 (2)Zn3—Mg23.077 (2)
Ga1—Mg42.978 (6)Zn3—Mg3xi3.088 (4)
Ga1—Mg3vi2.987 (6)Zn3—Mg33.101 (4)
Ga1—Mg32.987 (6)Zn3—Mg4ix3.106 (5)
Ga1—Mg4iii2.991 (5)Zn3—Mg4iii3.117 (3)
Ga1—Mg4ii2.991 (5)Al3—Mg2vii3.053 (4)
Zn2—Zn3vi2.6255 (19)Al3—Mg23.077 (2)
Zn2—Zn32.6255 (19)Al3—Mg3xi3.088 (4)
Zn2—Zn3vii2.684 (2)Al3—Mg33.101 (4)
Zn2—Zn3viii2.684 (2)Al3—Mg4ix3.106 (5)
Zn2—Mg1vii2.971 (3)Al3—Mg4iii3.117 (3)
Zn2—Mg4ii3.028 (3)Mg1—Mg1xii2.747 (11)
Zn2—Mg4iii3.028 (3)Mg1—Mg22.888 (10)
Zn2—Mg3vi3.1400 (17)Mg1—Mg2xiii3.132 (8)
Zn2—Mg33.1400 (17)Mg1—Mg2ix3.132 (8)
Zn2—Mg43.188 (6)Mg1—Mg4xiv3.550 (5)
Zn2—Mg2vii3.236 (5)Mg1—Mg4xv3.550 (5)
Al2—Al32.6255 (19)Zn4—Mg22.888 (10)
Al2—Mg4ii3.028 (3)Zn4—Mg2xiii3.132 (8)
Al2—Mg4iii3.028 (3)Zn4—Mg2ix3.132 (8)
Al2—Mg3vi3.1400 (17)Mg2—Mg4iii3.052 (6)
Al2—Mg33.1400 (17)Mg2—Mg4xvi3.052 (6)
Al2—Mg43.188 (6)Mg3—Mg3xi3.133 (13)
Al2—Ga1—Ga1i118.96 (6)Mg1xii—Mg1—Mg2180.0
Zn2—Ga1—Ga1i118.96 (6)Mg1xii—Mg1—Zn3xvii116.75 (10)
Al2—Ga1—Ga1ii120.92 (4)Mg2—Mg1—Zn3xvii63.25 (10)
Zn2—Ga1—Ga1ii120.92 (4)Mg1xii—Mg1—Zn3xviii116.75 (10)
Ga1i—Ga1—Ga1ii60.17 (5)Mg2—Mg1—Zn3xviii63.25 (10)
Al2—Ga1—Ga1iii120.92 (4)Zn3xvii—Mg1—Zn3xviii126.5 (2)
Zn2—Ga1—Ga1iii120.92 (4)Mg1xii—Mg1—Zn3ix116.75 (10)
Ga1i—Ga1—Ga1iii60.17 (5)Mg2—Mg1—Zn3ix63.25 (10)
Ga1ii—Ga1—Ga1iii108.08 (2)Zn3xvii—Mg1—Zn3ix55.56 (8)
Al2—Ga1—Ga1iv123.86 (6)Zn3xviii—Mg1—Zn3ix99.22 (13)
Zn2—Ga1—Ga1iv123.86 (6)Mg1xii—Mg1—Zn3xix116.75 (10)
Ga1i—Ga1—Ga1iv108.18 (5)Mg2—Mg1—Zn3xix63.25 (10)
Ga1ii—Ga1—Ga1iv60.0Zn3xvii—Mg1—Zn3xix99.22 (13)
Ga1iii—Ga1—Ga1iv107.78 (6)Zn3xviii—Mg1—Zn3xix55.56 (8)
Al2—Ga1—Ga1v123.86 (6)Zn3ix—Mg1—Zn3xix126.5 (2)
Zn2—Ga1—Ga1v123.86 (6)Mg1xii—Mg1—Zn2xvii112.96 (11)
Ga1i—Ga1—Ga1v108.18 (5)Mg2—Mg1—Zn2xvii67.04 (11)
Ga1ii—Ga1—Ga1v107.78 (6)Zn3xvii—Mg1—Zn2xvii52.79 (6)
Ga1iii—Ga1—Ga1v60.0Zn3xviii—Mg1—Zn2xvii104.69 (12)
Ga1iv—Ga1—Ga1v59.66 (9)Zn3ix—Mg1—Zn2xvii104.69 (12)
Al2—Ga1—Mg470.35 (12)Zn3xix—Mg1—Zn2xvii52.79 (6)
Zn2—Ga1—Mg470.35 (12)Mg1xii—Mg1—Zn2ix112.96 (11)
Ga1i—Ga1—Mg4170.69 (11)Mg2—Mg1—Zn2ix67.04 (11)
Ga1ii—Ga1—Mg4116.13 (7)Zn3xvii—Mg1—Zn2ix104.69 (12)
Ga1iii—Ga1—Mg4116.13 (7)Zn3xviii—Mg1—Zn2ix52.79 (6)
Ga1iv—Ga1—Mg463.97 (11)Zn3ix—Mg1—Zn2ix52.79 (6)
Ga1v—Ga1—Mg463.97 (11)Zn3xix—Mg1—Zn2ix104.69 (12)
Zn2—Ga1—Mg3vi68.96 (7)Zn2xvii—Mg1—Zn2ix134.1 (2)
Ga1i—Ga1—Mg3vi116.22 (4)Mg1xii—Mg1—Mg2xiii63.99 (11)
Ga1ii—Ga1—Mg3vi63.76 (6)Mg2—Mg1—Mg2xiii116.01 (11)
Ga1iii—Ga1—Mg3vi170.12 (8)Zn3xvii—Mg1—Mg2xiii151.87 (3)
Ga1iv—Ga1—Mg3vi63.76 (6)Zn3xviii—Mg1—Mg2xiii60.85 (6)
Ga1v—Ga1—Mg3vi115.78 (10)Zn3ix—Mg1—Mg2xiii151.87 (3)
Mg4—Ga1—Mg3vi65.85 (4)Zn3xix—Mg1—Mg2xiii60.85 (6)
Al2—Ga1—Mg368.96 (7)Zn2xvii—Mg1—Mg2xiii99.85 (3)
Zn2—Ga1—Mg368.96 (7)Zn2ix—Mg1—Mg2xiii99.85 (3)
Ga1i—Ga1—Mg3116.22 (4)Mg1xii—Mg1—Mg2ix63.99 (11)
Ga1ii—Ga1—Mg3170.12 (8)Mg2—Mg1—Mg2ix116.01 (11)
Ga1iii—Ga1—Mg363.76 (6)Zn3xvii—Mg1—Mg2ix60.85 (6)
Ga1iv—Ga1—Mg3115.79 (10)Zn3xviii—Mg1—Mg2ix151.87 (3)
Ga1v—Ga1—Mg363.76 (6)Zn3ix—Mg1—Mg2ix60.85 (6)
Mg4—Ga1—Mg365.85 (4)Zn3xix—Mg1—Mg2ix151.87 (3)
Mg3vi—Ga1—Mg3123.69 (11)Zn2xvii—Mg1—Mg2ix99.85 (3)
Al2—Ga1—Mg4iii66.05 (9)Zn2ix—Mg1—Mg2ix99.85 (3)
Zn2—Ga1—Mg4iii66.05 (9)Mg2xiii—Mg1—Mg2ix128.0 (2)
Ga1i—Ga1—Mg4iii63.93 (5)Mg1xii—Mg1—Mg4xiv67.24 (9)
Ga1ii—Ga1—Mg4iii116.77 (11)Mg2—Mg1—Mg4xiv112.76 (9)
Ga1iii—Ga1—Mg4iii63.49 (11)Zn3xvii—Mg1—Mg4xiv154.20 (9)
Ga1iv—Ga1—Mg4iii170.08 (8)Zn3xviii—Mg1—Mg4xiv56.50 (6)
Ga1v—Ga1—Mg4iii115.72 (11)Zn3ix—Mg1—Mg4xiv99.14 (8)
Mg4—Ga1—Mg4iii123.23 (13)Zn3xix—Mg1—Mg4xiv100.92 (8)
Mg3vi—Ga1—Mg4iii124.42 (13)Zn2xvii—Mg1—Mg4xiv152.04 (8)
Mg3—Ga1—Mg4iii65.70 (8)Zn2ix—Mg1—Mg4xiv54.45 (7)
Al2—Ga1—Mg4ii66.05 (9)Mg2xiii—Mg1—Mg4xiv53.91 (9)
Zn2—Ga1—Mg4ii66.05 (9)Mg2ix—Mg1—Mg4xiv104.46 (13)
Ga1i—Ga1—Mg4ii63.93 (5)Mg1xii—Mg1—Mg4xv67.24 (9)
Ga1ii—Ga1—Mg4ii63.49 (11)Mg2—Mg1—Mg4xv112.76 (9)
Ga1iii—Ga1—Mg4ii116.77 (11)Zn3xvii—Mg1—Mg4xv56.50 (6)
Ga1iv—Ga1—Mg4ii115.72 (11)Zn3xviii—Mg1—Mg4xv154.20 (9)
Ga1v—Ga1—Mg4ii170.08 (8)Zn3ix—Mg1—Mg4xv100.92 (8)
Mg4—Ga1—Mg4ii123.23 (13)Zn3xix—Mg1—Mg4xv99.14 (8)
Mg3vi—Ga1—Mg4ii65.70 (8)Zn2xvii—Mg1—Mg4xv54.45 (7)
Mg3—Ga1—Mg4ii124.42 (13)Zn2ix—Mg1—Mg4xv152.04 (8)
Mg4iii—Ga1—Mg4ii67.3 (2)Mg2xiii—Mg1—Mg4xv104.46 (13)
Ga1—Zn2—Zn3vi119.07 (6)Mg2ix—Mg1—Mg4xv53.91 (9)
Ga1—Zn2—Zn3119.07 (6)Mg4xiv—Mg1—Mg4xv134.48 (18)
Zn3vi—Zn2—Zn3116.69 (11)Mg2—Zn4—Mg2xiii116.01 (11)
Ga1—Zn2—Zn3vii115.47 (8)Mg2—Zn4—Mg2ix116.01 (11)
Zn3vi—Zn2—Zn3vii111.88 (9)Mg2xiii—Zn4—Mg2ix128.0 (2)
Zn3—Zn2—Zn3vii60.34 (5)Zn4—Mg2—Mg4iii112.31 (17)
Ga1—Zn2—Zn3viii115.47 (8)Mg1—Mg2—Mg4iii112.31 (17)
Zn3vi—Zn2—Zn3viii60.34 (5)Zn4—Mg2—Mg4xvi112.31 (17)
Zn3—Zn2—Zn3viii111.88 (9)Mg1—Mg2—Mg4xvi112.31 (17)
Zn3vii—Zn2—Zn3viii61.28 (8)Mg4iii—Mg2—Mg4xvi135.4 (3)
Ga1—Zn2—Mg1vii128.08 (13)Mg1—Mg2—Zn3xviii59.12 (13)
Zn3vi—Zn2—Mg1vii62.88 (6)Mg4iii—Mg2—Zn3xviii150.70 (9)
Zn3—Zn2—Mg1vii62.88 (6)Mg4xvi—Mg2—Zn3xviii61.16 (9)
Zn3vii—Zn2—Mg1vii108.74 (11)Zn4—Mg2—Zn3xix59.12 (13)
Zn3viii—Zn2—Mg1vii108.74 (11)Mg1—Mg2—Zn3xix59.12 (13)
Ga1—Zn2—Mg4ii64.52 (11)Mg4iii—Mg2—Zn3xix150.70 (9)
Zn3vi—Zn2—Mg4ii66.47 (10)Mg4xvi—Mg2—Zn3xix61.16 (9)
Zn3—Zn2—Mg4ii122.16 (12)Zn3xviii—Mg2—Zn3xix53.23 (9)
Zn3vii—Zn2—Mg4ii177.34 (11)Zn4—Mg2—Zn3xvii59.12 (13)
Zn3viii—Zn2—Mg4ii116.18 (9)Mg1—Mg2—Zn3xvii59.12 (13)
Mg1vii—Zn2—Mg4ii72.55 (13)Mg4iii—Mg2—Zn3xvii61.16 (9)
Ga1—Zn2—Mg4iii64.52 (11)Mg4xvi—Mg2—Zn3xvii150.70 (9)
Zn3vi—Zn2—Mg4iii122.16 (12)Zn3xviii—Mg2—Zn3xvii118.2 (3)
Zn3—Zn2—Mg4iii66.47 (10)Zn3xix—Mg2—Zn3xvii94.12 (17)
Zn3vii—Zn2—Mg4iii116.18 (9)Zn4—Mg2—Zn3ix59.12 (13)
Zn3viii—Zn2—Mg4iii177.34 (11)Mg1—Mg2—Zn3ix59.12 (13)
Mg1vii—Zn2—Mg4iii72.55 (13)Mg4iii—Mg2—Zn3ix61.16 (9)
Mg4ii—Zn2—Mg4iii66.35 (18)Mg4xvi—Mg2—Zn3ix150.70 (9)
Ga1—Zn2—Mg3vi62.62 (12)Zn3xviii—Mg2—Zn3ix94.12 (17)
Zn3vi—Zn2—Mg3vi64.36 (10)Zn3xix—Mg2—Zn3ix118.2 (3)
Zn3—Zn2—Mg3vi174.43 (10)Zn3xvii—Mg2—Zn3ix53.23 (9)
Zn3vii—Zn2—Mg3vi114.09 (8)Mg1—Mg2—Zn3100.87 (15)
Zn3viii—Zn2—Mg3vi63.46 (10)Mg4iii—Mg2—Zn361.13 (6)
Mg1vii—Zn2—Mg3vi120.86 (7)Mg4xvi—Mg2—Zn3109.86 (13)
Mg4ii—Zn2—Mg3vi63.41 (10)Zn3xviii—Mg2—Zn391.71 (5)
Mg4iii—Zn2—Mg3vi118.05 (16)Zn3xix—Mg2—Zn3144.54 (16)
Ga1—Zn2—Mg362.62 (12)Zn3xvii—Mg2—Zn399.42 (6)
Zn3vi—Zn2—Mg3174.42 (10)Zn3ix—Mg2—Zn351.61 (5)
Zn3—Zn2—Mg364.36 (10)Zn4—Mg2—Al3100.87 (15)
Zn3vii—Zn2—Mg363.46 (10)Mg4iii—Mg2—Al361.13 (6)
Zn3viii—Zn2—Mg3114.09 (8)Mg4xvi—Mg2—Al3109.86 (13)
Mg1vii—Zn2—Mg3120.86 (7)Mg1—Mg2—Zn3xx100.87 (15)
Mg4ii—Zn2—Mg3118.05 (15)Mg4iii—Mg2—Zn3xx61.13 (6)
Mg4iii—Zn2—Mg363.41 (10)Mg4xvi—Mg2—Zn3xx109.86 (13)
Mg3vi—Zn2—Mg3114.0 (2)Zn3xviii—Mg2—Zn3xx144.54 (16)
Ga1—Zn2—Mg461.62 (11)Zn3xix—Mg2—Zn3xx91.71 (5)
Zn3vi—Zn2—Mg4113.92 (7)Zn3xvii—Mg2—Zn3xx51.61 (5)
Zn3—Zn2—Mg4113.92 (7)Zn3ix—Mg2—Zn3xx99.42 (6)
Zn3vii—Zn2—Mg463.18 (9)Zn3—Mg2—Zn3xx122.25 (11)
Zn3viii—Zn2—Mg463.18 (9)Mg1—Mg2—Zn3x100.87 (15)
Mg1vii—Zn2—Mg4170.30 (16)Mg4iii—Mg2—Zn3x109.86 (13)
Mg4ii—Zn2—Mg4115.29 (17)Mg4xvi—Mg2—Zn3x61.13 (6)
Mg4iii—Zn2—Mg4115.29 (17)Zn3xviii—Mg2—Zn3x51.61 (5)
Mg3vi—Zn2—Mg461.64 (6)Zn3xix—Mg2—Zn3x99.42 (6)
Mg3—Zn2—Mg461.65 (6)Zn3xvii—Mg2—Zn3x144.54 (16)
Ga1—Zn2—Mg2vii176.67 (15)Zn3ix—Mg2—Zn3x91.71 (5)
Zn3vi—Zn2—Mg2vii61.74 (6)Zn3—Mg2—Zn3x52.79 (6)
Zn3—Zn2—Mg2vii61.74 (6)Zn3xx—Mg2—Zn3x158.3 (3)
Zn3vii—Zn2—Mg2vii61.80 (11)Ga1v—Mg3—Ga1iii52.48 (12)
Zn3viii—Zn2—Mg2vii61.80 (11)Ga1v—Mg3—Ga152.48 (12)
Mg1vii—Zn2—Mg2vii55.25 (16)Ga1iii—Mg3—Ga152.48 (12)
Mg4ii—Zn2—Mg2vii118.11 (14)Ga1v—Mg3—Zn3ix144.34 (14)
Mg4iii—Zn2—Mg2vii118.11 (14)Ga1iii—Mg3—Zn3ix92.77 (6)
Mg3vi—Zn2—Mg2vii116.25 (13)Ga1—Mg3—Zn3ix115.89 (8)
Mg3—Zn2—Mg2vii116.25 (13)Ga1v—Mg3—Zn3xi92.77 (6)
Mg4—Zn2—Mg2vii115.05 (17)Ga1iii—Mg3—Zn3xi115.89 (8)
Ga1—Al2—Al3119.07 (6)Ga1—Mg3—Zn3xi144.34 (14)
Ga1—Al2—Mg4ii64.52 (11)Zn3ix—Mg3—Zn3xi96.92 (14)
Al3—Al2—Mg4ii122.16 (12)Ga1v—Mg3—Zn3vii115.89 (8)
Ga1—Al2—Mg4iii64.52 (11)Ga1iii—Mg3—Zn3vii144.34 (14)
Al3—Al2—Mg4iii66.47 (10)Ga1—Mg3—Zn3vii92.77 (6)
Mg4ii—Al2—Mg4iii66.35 (18)Zn3ix—Mg3—Zn3vii96.92 (14)
Ga1—Al2—Mg3vi62.62 (12)Zn3xi—Mg3—Zn3vii96.92 (14)
Mg4ii—Al2—Mg3vi63.41 (10)Ga1v—Mg3—Zn3145.14 (14)
Mg4iii—Al2—Mg3vi118.05 (16)Ga1iii—Mg3—Zn3115.72 (8)
Ga1—Al2—Mg362.62 (12)Ga1—Mg3—Zn393.42 (6)
Al3—Al2—Mg364.36 (10)Zn3ix—Mg3—Zn351.09 (6)
Mg4ii—Al2—Mg3118.05 (15)Zn3xi—Mg3—Zn3119.2 (2)
Mg4iii—Al2—Mg363.41 (10)Zn3vii—Mg3—Zn351.09 (6)
Mg3vi—Al2—Mg3114.0 (2)Ga1v—Mg3—Al3145.14 (14)
Ga1—Al2—Mg461.62 (11)Ga1iii—Mg3—Al3115.72 (8)
Al3—Al2—Mg4113.92 (7)Ga1—Mg3—Al393.42 (6)
Mg4ii—Al2—Mg4115.29 (17)Ga1v—Mg3—Zn3iii115.72 (8)
Mg4iii—Al2—Mg4115.29 (17)Ga1iii—Mg3—Zn3iii93.42 (6)
Mg3vi—Al2—Mg461.64 (6)Ga1—Mg3—Zn3iii145.14 (14)
Mg3—Al2—Mg461.65 (6)Zn3ix—Mg3—Zn3iii51.09 (6)
Ga1—Al2—Mg2vii176.67 (15)Zn3xi—Mg3—Zn3iii51.09 (6)
Al3—Al2—Mg2vii61.74 (6)Zn3vii—Mg3—Zn3iii119.2 (2)
Mg4ii—Al2—Mg2vii118.11 (14)Zn3—Mg3—Zn3iii96.35 (14)
Mg4iii—Al2—Mg2vii118.11 (14)Al3—Mg3—Zn3iii96.35 (14)
Mg3vi—Al2—Mg2vii116.25 (13)Ga1v—Mg3—Zn3v93.42 (6)
Mg3—Al2—Mg2vii116.25 (13)Ga1iii—Mg3—Zn3v145.14 (14)
Mg4—Al2—Mg2vii115.05 (17)Ga1—Mg3—Zn3v115.72 (8)
Zn2—Zn3—Zn3ix119.01 (9)Zn3ix—Mg3—Zn3v119.2 (2)
Zn2—Zn3—Zn3vii60.91 (7)Zn3xi—Mg3—Zn3v51.09 (6)
Zn3ix—Zn3—Zn3vii119.992 (2)Zn3vii—Mg3—Zn3v51.09 (6)
Zn2—Zn3—Zn2ix177.23 (9)Zn3—Mg3—Zn3v96.35 (14)
Zn3ix—Zn3—Zn2ix58.75 (7)Al3—Mg3—Zn3v96.35 (14)
Zn3vii—Zn3—Zn2ix121.36 (9)Zn3iii—Mg3—Zn3v96.35 (14)
Zn2—Zn3—Zn3x121.41 (5)Ga1v—Mg3—Mg3xi149.30 (7)
Zn3ix—Zn3—Zn3x108.96 (5)Ga1iii—Mg3—Mg3xi149.30 (7)
Zn3vii—Zn3—Zn3x119.81 (5)Ga1—Mg3—Mg3xi149.30 (7)
Zn2ix—Zn3—Zn3x59.36 (4)Zn3ix—Mg3—Mg3xi59.80 (11)
Zn2—Zn3—Mg1vii64.33 (6)Zn3xi—Mg3—Mg3xi59.80 (11)
Zn3ix—Zn3—Mg1vii122.71 (12)Zn3vii—Mg3—Mg3xi59.80 (11)
Zn3vii—Zn3—Mg1vii110.27 (10)Zn3—Mg3—Mg3xi59.37 (11)
Zn2ix—Zn3—Mg1vii115.13 (6)Zn3iii—Mg3—Mg3xi59.37 (11)
Zn3x—Zn3—Mg1vii62.22 (4)Zn3v—Mg3—Mg3xi59.37 (11)
Zn2—Zn3—Mg2vii69.02 (7)Ga1v—Mg3—Zn2v48.42 (7)
Zn3ix—Zn3—Mg2vii171.76 (8)Ga1iii—Mg3—Zn2v95.93 (15)
Zn3vii—Zn3—Mg2vii64.65 (11)Ga1—Mg3—Zn2v94.16 (15)
Zn2ix—Zn3—Mg2vii113.17 (7)Zn3ix—Mg3—Zn2v147.23 (14)
Zn3x—Zn3—Mg2vii63.38 (5)Zn3xi—Mg3—Zn2v51.05 (5)
Mg1vii—Zn3—Mg2vii57.63 (16)Zn3vii—Mg3—Zn2v94.19 (6)
Zn2—Zn3—Mg2109.77 (14)Zn3—Mg3—Zn2v144.78 (13)
Zn3ix—Zn3—Mg263.73 (13)Al3—Mg3—Zn2v144.78 (13)
Zn3vii—Zn3—Mg2170.67 (15)Zn3iii—Mg3—Zn2v96.79 (6)
Zn2ix—Zn3—Mg267.97 (13)Zn3v—Mg3—Zn2v49.75 (5)
Zn3x—Zn3—Mg263.61 (3)Mg3xi—Mg3—Zn2v100.90 (12)
Mg1vii—Zn3—Mg262.75 (17)Ga1—Mg4—Ga1iv52.54 (10)
Mg2vii—Zn3—Mg2112.85 (5)Ga1—Mg4—Ga1v52.54 (10)
Zn2—Zn3—Mg3xi115.46 (11)Ga1iv—Mg4—Ga1v52.13 (11)
Zn3ix—Zn3—Mg3xi64.72 (4)Ga1—Mg4—Zn2iv96.72 (12)
Zn3vii—Zn3—Mg3xi64.72 (4)Ga1iv—Mg4—Zn2iv49.44 (8)
Zn2ix—Zn3—Mg3xi65.49 (9)Ga1v—Mg4—Zn2iv94.87 (15)
Zn3x—Zn3—Mg3xi114.21 (11)Ga1—Mg4—Zn2v96.72 (12)
Mg1vii—Zn3—Mg3xi172.14 (13)Ga1iv—Mg4—Zn2v94.87 (15)
Mg2vii—Zn3—Mg3xi114.62 (14)Ga1v—Mg4—Zn2v49.44 (8)
Mg2—Zn3—Mg3xi122.91 (15)Zn2iv—Mg4—Zn2v113.55 (18)
Zn2—Zn3—Mg365.89 (9)Ga1—Mg4—Mg2v148.4 (2)
Zn3ix—Zn3—Mg364.19 (4)Ga1iv—Mg4—Mg2v149.83 (13)
Zn3vii—Zn3—Mg364.19 (4)Ga1v—Mg4—Mg2v149.83 (13)
Zn2ix—Zn3—Mg3113.26 (10)Zn2iv—Mg4—Mg2v100.43 (14)
Zn3x—Zn3—Mg3172.53 (7)Zn2v—Mg4—Mg2v100.43 (14)
Mg1vii—Zn3—Mg3123.46 (12)Ga1—Mg4—Zn3vii92.58 (14)
Mg2vii—Zn3—Mg3123.26 (7)Ga1iv—Mg4—Zn3vii144.45 (19)
Mg2—Zn3—Mg3113.54 (7)Ga1v—Mg4—Zn3vii115.25 (10)
Mg3xi—Zn3—Mg360.8 (2)Zn2iv—Mg4—Zn3vii147.47 (14)
Zn2—Zn3—Mg4ix116.41 (11)Zn2v—Mg4—Zn3vii96.10 (6)
Zn3ix—Zn3—Mg4ix115.28 (12)Mg2v—Mg4—Zn3vii59.44 (16)
Zn3vii—Zn3—Mg4ix64.82 (9)Ga1—Mg4—Zn3viii92.58 (14)
Zn2ix—Zn3—Mg4ix66.36 (11)Ga1iv—Mg4—Zn3viii115.25 (10)
Zn3x—Zn3—Mg4ix63.87 (5)Ga1v—Mg4—Zn3viii144.45 (19)
Mg1vii—Zn3—Mg4ix109.51 (12)Zn2iv—Mg4—Zn3viii96.10 (6)
Mg2vii—Zn3—Mg4ix59.40 (14)Zn2v—Mg4—Zn3viii147.47 (14)
Mg2—Zn3—Mg4ix122.48 (9)Mg2v—Mg4—Zn3viii59.44 (16)
Mg3xi—Zn3—Mg4ix63.14 (12)Zn3vii—Mg4—Zn3viii52.26 (10)
Mg3—Zn3—Mg4ix115.43 (11)Ga1—Mg4—Zn3v115.52 (10)
Zn2—Zn3—Mg4iii62.96 (10)Ga1iv—Mg4—Zn3v144.38 (14)
Zn3ix—Zn3—Mg4iii64.39 (12)Ga1v—Mg4—Zn3v93.05 (6)
Zn3vii—Zn3—Mg4iii113.77 (11)Zn2iv—Mg4—Zn3v144.22 (19)
Zn2ix—Zn3—Mg4iii114.27 (11)Zn2v—Mg4—Zn3v50.57 (5)
Zn3x—Zn3—Mg4iii117.84 (9)Mg2v—Mg4—Zn3v59.83 (9)
Mg1vii—Zn3—Mg4iii71.77 (13)Zn3vii—Mg4—Zn3v50.79 (7)
Mg2vii—Zn3—Mg4iii121.14 (15)Zn3viii—Mg4—Zn3v97.44 (14)
Mg2—Zn3—Mg4iii59.04 (10)Ga1—Mg4—Zn3xxi115.52 (10)
Mg3xi—Zn3—Mg4iii115.51 (14)Ga1iv—Mg4—Zn3xxi93.05 (6)
Mg3—Zn3—Mg4iii62.87 (13)Ga1v—Mg4—Zn3xxi144.38 (14)
Mg4ix—Zn3—Mg4iii178.29 (12)Zn2iv—Mg4—Zn3xxi50.57 (5)
Al2—Al3—Mg2vii69.02 (7)Zn2v—Mg4—Zn3xxi144.22 (19)
Al2—Al3—Mg2109.77 (14)Mg2v—Mg4—Zn3xxi59.83 (9)
Mg2vii—Al3—Mg2112.85 (5)Zn3vii—Mg4—Zn3xxi97.44 (14)
Mg2vii—Al3—Mg3xi114.62 (14)Zn3viii—Mg4—Zn3xxi50.79 (7)
Mg2—Al3—Mg3xi122.91 (15)Zn3v—Mg4—Zn3xxi119.66 (18)
Al2—Al3—Mg365.89 (9)Ga1—Mg4—Zn248.03 (9)
Mg2vii—Al3—Mg3123.26 (7)Ga1iv—Mg4—Zn294.86 (14)
Mg2—Al3—Mg3113.54 (7)Ga1v—Mg4—Zn294.86 (14)
Mg3xi—Al3—Mg360.8 (2)Zn2iv—Mg4—Zn2118.44 (10)
Al2—Al3—Mg4ix116.41 (11)Zn2v—Mg4—Zn2118.44 (10)
Mg2vii—Al3—Mg4ix59.40 (14)Mg2v—Mg4—Zn2100.4 (2)
Mg2—Al3—Mg4ix122.48 (9)Zn3vii—Mg4—Zn250.46 (9)
Mg3xi—Al3—Mg4ix63.14 (12)Zn3viii—Mg4—Zn250.46 (9)
Mg3—Al3—Mg4ix115.43 (11)Zn3v—Mg4—Zn295.50 (12)
Al2—Al3—Mg4iii62.96 (10)Zn3xxi—Mg4—Zn295.50 (12)
Mg2vii—Al3—Mg4iii121.14 (15)Ga1—Mg4—Al248.03 (9)
Mg2—Al3—Mg4iii59.04 (10)Ga1iv—Mg4—Al294.86 (14)
Mg3xi—Al3—Mg4iii115.51 (14)Ga1v—Mg4—Al294.86 (14)
Mg3—Al3—Mg4iii62.87 (13)Mg2v—Mg4—Al2100.4 (2)
Mg4ix—Al3—Mg4iii178.29 (12)
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) z+1/2, x+1/2, y+1/2; (viii) z1/2, x+1/2, y+1/2; (ix) y+1/2, z+1/2, x+1/2; (x) x, y, z+1; (xi) x+1/2, y+1/2, z+1/2; (xii) x+1, y, z+1; (xiii) y+1/2, z1/2, x+1/2; (xiv) x+1/2, y+1/2, z+1/2; (xv) x+1/2, y1/2, z+1/2; (xvi) z, x, y+1; (xvii) y+1/2, z1/2, x+1/2; (xviii) y+1/2, z+1/2, x+1/2; (xix) y+1/2, z1/2, x+1/2; (xx) x, y, z; (xxi) y, z, x.
 

Acknowledgements

We are indebted to Yibo Liu and Huizi Liu for useful discussions.

Funding information

Funding for this research was provided by: The National Natural Science Foundation of China (grant No. 52173231; grant No. U23A20537); The Innovation Ability Promotion Project of Hebei supported by Hebei Key Lab for Optimizing Metal Product Technology and Performance (grant No. 22567609H).

References

Return to citationBergman, G., Waugh, J. L. T. & Pauling, L. (1957). Acta Cryst. 10, 254–259.  CrossRef ICSD CAS IUCr Journals Web of Science Google Scholar
Return to citationBrandenburg, K. & Putz, H. (2017). DIAMOND. Crystal Impact GbR, Bonn, Germany.  Google Scholar
Return to citationBruker (2023). APEX5 and SAINT. Bruker AXS Inc. Madison, Wisconsin, USA, 2008.  Google Scholar
Return to citationEdagawa, K., Naito, N. & Takeuchi, S. (1992). Philos. Mag. B 65, 1011–1023.  CrossRef CAS Web of Science Google Scholar
Return to citationEdagawa, K., Naito, N. & Takeuchi, S. (1993). Phase Transit. 44, 121–129.  CrossRef CAS Web of Science Google Scholar
Return to citationKrause, L., Herbst-Irmer, R., Sheldrick, G. M. & Stalke, D. (2015). J. Appl. Cryst. 48, 3–10.  Web of Science CSD CrossRef ICSD CAS IUCr Journals Google Scholar
Return to citationLiu, C. & Fan, C. (2018). IUCrData 3, x180363.  Google Scholar
Return to citationMontagné, P. & Tillard, M. (2016). J. Alloys Compd. 656, 159–165.  Google Scholar
Return to citationSheldrick, G. M. (2015a). Acta Cryst. A71, 3–8.  Web of Science CrossRef IUCr Journals Google Scholar
Return to citationSheldrick, G. M. (2015b). Acta Cryst. C71, 3–8.  Web of Science CrossRef IUCr Journals Google Scholar
Return to citationWestrip, S. P. (2010). J. Appl. Cryst. 43, 920–925.  Web of Science CrossRef CAS IUCr Journals Google Scholar

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