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ISSN: 2414-3146

Mg20.66Al12.24Zn20.04

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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

Edited by W. T. A. Harrison, University of Aberdeen, United Kingdom (Received 18 March 2025; accepted 3 April 2025; online 11 April 2025)

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 space group 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[Montagné, P. & Tillard, M. (2016). J. Alloys Compd. 656, 159-165.]). J. Alloys Compd. 656, 159–165].

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

Structure description

The discovery of quasicrystalline compounds in the Mg–Al–Zn systems has stimulated extensive studies (Berthold et al., 2013[Berthold, R., Kreiner, G., Burkhardt, U., Hoffmann, S., Auffermann, G., Prots, Y., Dashjav, E., Amarsanaa, A. & Mihalkovic, M. (2013). Intermetallics, 32, 259-273.]). The quasicrystalline approximant phase with the composition Mg32Al12Zn37 is characterized by a low Al content (Montagné & Tillard, 2016[Montagné, P. & Tillard, M. (2016). J. Alloys Compd. 656, 159-165.]). 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[Yao, C., Lv, H., Zhu, T., Zheng, W., Yuan, X. & Gao, W. (2016). J. Alloys Compd. 670, 239-248.]). 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[Zhang, Y., Wang, B., Wei, S., Wang, Y. & Li, L. (2022). Heliyon, 8, e11224.]). 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[Edoziuno, F. O., Adediran, A. A., Emereje, P. O., Akaluzia, R. O. & Jen, T. C. (2024). Results Eng. 21, 101632.]).

In the present study, a cubic phase with a = 14.2100 (8) Å in space group Im[\overline{3}] with composition Mg20.66Al12.24Zn20.04 has been established based on the refinement process by 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: 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[link]. The Zn2/Al2 is located at a position with site symmetry 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]
Figure 1
The crystal structure of Mg20.66Al12.24Zn20.04 (one unit cell), with displacement ellipsoids drawn at the 99% probability level.
[Figure 2]
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 + [{1\over 2}], −z + [{1\over 2}], −x + [{1\over 2}]; (viii) y − [{1\over 2}], −z + [{1\over 2}], −x + [{1\over 2}].]

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[Liu, C. & Fan, C. (2018). IUCrData, 3, x180363.]). 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 refinement details are outlined in Table 1[link]. 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).

Table 1
Experimental details

Crystal data
Chemical formula Mg20.66Al12.24Zn20.04
Mr 2143.54
Crystal system, space group Cubic, Im[\overline{3}]
Temperature (K) 296
a (Å) 14.2100 (8)
V3) 2869.3 (5)
Z 3
Radiation type Mo Kα
μ (mm−1) 12.91
Crystal size (mm) 0.08 × 0.06 × 0.06
 
Data collection
Diffractometer Bruker D8 Venture Photon 100 CMOS
Absorption correction Multi-scan (SADABS; Krause et al., 2015[Krause, L., Herbst-Irmer, R., Sheldrick, G. M. & Stalke, D. (2015). J. Appl. Cryst. 48, 3-10.])
Tmin, Tmax 0.496, 0.523
No. of measured, independent and observed [I > 2σ(I)] reflections 6786, 481, 309
Rint 0.180
(sin θ/λ)max−1) 0.595
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.061, 0.129, 1.08
No. of reflections 481
No. of parameters 46
Δρmax, Δρmin (e Å−3) 1.21, −0.89
Computer programs: APEX3 and SAINT (Bruker, 2015[Bruker (2015). APEX3 and SAINT. Bruker AXS Inc. Madison, Wisconsin, USA, 2008.]), SHELXT2018/2 (Sheldrick, 2015a[Sheldrick, G. M. (2015a). Acta Cryst. A71, 3-8.]), SHELXL2018/3 (Sheldrick, 2015b[Sheldrick, G. M. (2015b). Acta Cryst. C71, 3-8.]), DIAMOND (Brandenburg & Putz, 2017[Brandenburg, K. & Putz, H. (2017). DIAMOND. Crystal Impact GbR, Bonn, Germany.]) and publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).

Structural data


Computing details top

Icosamagnesium dodecaaluminium icosazinc top
Crystal data top
Mg20.66Al12.24Zn20.04Mo Kα radiation, λ = 0.71073 Å
Mr = 2143.54Cell parameters from 2565 reflections
Cubic, Im3θ = 3.2–27.0°
a = 14.2100 (8) ŵ = 12.91 mm1
V = 2869.3 (5) Å3T = 296 K
Z = 3Lump, gray
F(000) = 30240.08 × 0.06 × 0.06 mm
Dx = 3.719 Mg m3
Data collection top
Bruker D8 Venture Photon 100 CMOS
diffractometer
309 reflections with I > 2σ(I)
ω scansRint = 0.180
Absorption correction: multi-scan
(SADABS; Krause et al., 2015)
θmax = 25.0°, θmin = 2.9°
Tmin = 0.496, Tmax = 0.523h = 1516
6786 measured reflectionsk = 1216
481 independent reflectionsl = 1611
Refinement top
Refinement on F2Primary 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) = 0.129Δρmax = 1.21 e Å3
S = 1.08Δρmin = 0.89 e Å3
481 reflectionsExtinction correction: SHELXL2018/3 (Sheldrick, 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
46 parametersExtinction coefficient: 0.00051 (13)
0 restraints
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
xyzUiso*/UeqOcc. (<1)
Zn10.0000000.15105 (13)0.09251 (13)0.0126 (8)0.84 (3)
Al10.0000000.15105 (13)0.09251 (13)0.0126 (8)0.16 (3)
Zn20.0000000.30698 (17)0.17872 (18)0.0151 (10)0.55 (3)
Al20.0000000.30698 (17)0.17872 (18)0.0151 (10)0.45 (3)
Zn30.15796 (13)0.40335 (12)0.19039 (12)0.0176 (8)0.54 (3)
Al30.15796 (13)0.40335 (12)0.19039 (12)0.0176 (8)0.46 (3)
Mg10.4025 (5)0.5000000.0000000.022 (3)0.931 (17)
Zn40.4025 (5)0.5000000.0000000.022 (3)0.069 (17)
Mg20.1978 (5)0.5000000.0000000.021 (3)0.97 (3)
Mg30.1861 (3)0.1861 (3)0.1861 (3)0.021 (3)
Mg40.0000000.1164 (4)0.3006 (4)0.018 (2)0.97 (2)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.0111 (12)0.0147 (14)0.0120 (13)0.0000.0000.0005 (9)
Al10.0111 (12)0.0147 (14)0.0120 (13)0.0000.0000.0005 (9)
Zn20.0154 (16)0.0134 (16)0.0166 (17)0.0000.0000.0035 (12)
Al20.0154 (16)0.0134 (16)0.0166 (17)0.0000.0000.0035 (12)
Zn30.0158 (13)0.0166 (12)0.0203 (12)0.0007 (9)0.0011 (8)0.0023 (8)
Al30.0158 (13)0.0166 (12)0.0203 (12)0.0007 (9)0.0011 (8)0.0023 (8)
Mg10.019 (5)0.020 (5)0.028 (5)0.0000.0000.000
Zn40.019 (5)0.020 (5)0.028 (5)0.0000.0000.000
Mg20.016 (5)0.027 (6)0.019 (6)0.0000.0000.000
Mg30.021 (3)0.021 (3)0.021 (3)0.0024 (18)0.0024 (18)0.0024 (18)
Mg40.014 (4)0.021 (4)0.019 (4)0.0000.0000.004 (3)
Geometric parameters (Å, º) top
Zn1—Zn22.532 (3)Al2—Mg3vi3.1553 (19)
Zn1—Zn1i2.629 (4)Al2—Mg43.214 (6)
Zn1—Zn1ii2.651 (2)Al2—Mg2vii3.256 (5)
Zn1—Zn1iii2.651 (2)Zn3—Zn3vii2.6790 (18)
Zn1—Zn1iv2.651 (2)Zn3—Zn3ix2.6791 (18)
Zn1—Zn1v2.651 (2)Zn3—Zn3x2.747 (3)
Zn1—Mg4v2.997 (5)Zn3—Mg1vii2.944 (3)
Zn1—Mg4iv2.997 (5)Zn3—Mg2vii3.074 (4)
Zn1—Mg42.998 (6)Zn3—Mg23.087 (2)
Zn1—Mg33.002 (6)Zn3—Mg3xi3.099 (4)
Zn1—Mg3vi3.002 (6)Zn3—Mg33.113 (4)
Al1—Al22.532 (3)Zn3—Mg4ix3.125 (5)
Al1—Mg4v2.997 (5)Zn3—Mg4v3.130 (3)
Al1—Mg4iv2.997 (5)Al3—Mg2vii3.074 (4)
Al1—Mg42.998 (6)Al3—Mg23.087 (2)
Al1—Mg33.002 (6)Al3—Mg3xi3.099 (4)
Al1—Mg3vi3.002 (6)Al3—Mg33.113 (4)
Zn2—Zn32.635 (2)Al3—Mg4ix3.125 (5)
Zn2—Zn3vi2.635 (2)Al3—Mg4v3.130 (3)
Zn2—Zn3vii2.697 (3)Mg1—Mg1xii2.771 (13)
Zn2—Zn3viii2.697 (3)Mg1—Mg22.909 (10)
Zn2—Mg1vii2.976 (4)Mg1—Mg2xiii3.134 (7)
Zn2—Mg4iv3.032 (4)Mg1—Mg2ix3.134 (7)
Zn2—Mg4v3.032 (4)Mg1—Mg4xiv3.562 (5)
Zn2—Mg33.1553 (19)Mg1—Mg4xv3.562 (5)
Zn2—Mg3vi3.1553 (19)Zn4—Mg22.909 (10)
Zn2—Mg43.214 (6)Zn4—Mg2xiii3.134 (7)
Zn2—Mg2vii3.256 (5)Zn4—Mg2ix3.134 (7)
Al2—Al32.635 (2)Mg2—Mg4v3.060 (6)
Al2—Mg4iv3.032 (4)Mg2—Mg4xvi3.060 (6)
Al2—Mg4v3.032 (4)Mg3—Mg3xi3.144 (13)
Al2—Mg33.1553 (19)
Zn2—Zn1—Zn1i118.94 (7)Mg1xii—Mg1—Mg2180.0
Zn2—Zn1—Zn1ii123.83 (7)Mg1xii—Mg1—Zn3xvii116.64 (12)
Zn1i—Zn1—Zn1ii108.29 (5)Mg2—Mg1—Zn3xvii63.36 (12)
Zn2—Zn1—Zn1iii123.83 (7)Mg1xii—Mg1—Zn3xviii116.64 (12)
Zn1i—Zn1—Zn1iii108.29 (5)Mg2—Mg1—Zn3xviii63.36 (12)
Zn1ii—Zn1—Zn1iii59.45 (10)Zn3xvii—Mg1—Zn3xviii126.7 (2)
Zn2—Zn1—Zn1iv120.97 (4)Mg1xii—Mg1—Zn3ix116.64 (12)
Zn1i—Zn1—Zn1iv60.27 (5)Mg2—Mg1—Zn3ix63.36 (12)
Zn1ii—Zn1—Zn1iv60.0Zn3xvii—Mg1—Zn3ix55.62 (9)
Zn1iii—Zn1—Zn1iv107.64 (6)Zn3xviii—Mg1—Zn3ix99.36 (15)
Zn2—Zn1—Zn1v120.97 (4)Mg1xii—Mg1—Zn3xix116.64 (12)
Zn1i—Zn1—Zn1v60.27 (5)Mg2—Mg1—Zn3xix63.36 (12)
Zn1ii—Zn1—Zn1v107.64 (6)Zn3xvii—Mg1—Zn3xix99.36 (15)
Zn1iii—Zn1—Zn1v60.0Zn3xviii—Mg1—Zn3xix55.62 (9)
Zn1iv—Zn1—Zn1v108.13 (2)Zn3ix—Mg1—Zn3xix126.7 (2)
Zn2—Zn1—Mg4v65.90 (10)Mg1xii—Mg1—Zn2xix112.82 (13)
Zn1i—Zn1—Mg4v63.98 (6)Mg2—Mg1—Zn2xix67.18 (13)
Zn1ii—Zn1—Mg4v170.25 (9)Zn3xvii—Mg1—Zn2xix52.85 (6)
Zn1iii—Zn1—Mg4v115.98 (11)Zn3xviii—Mg1—Zn2xix104.84 (14)
Zn1iv—Zn1—Mg4v116.87 (11)Zn3ix—Mg1—Zn2xix104.84 (14)
Zn1v—Zn1—Mg4v63.77 (12)Zn3xix—Mg1—Zn2xix52.85 (6)
Zn2—Zn1—Mg4iv65.90 (10)Mg1xii—Mg1—Zn2ix112.82 (13)
Zn1i—Zn1—Mg4iv63.98 (6)Mg2—Mg1—Zn2ix67.18 (13)
Zn1ii—Zn1—Mg4iv115.98 (11)Zn3xvii—Mg1—Zn2ix104.84 (14)
Zn1iii—Zn1—Mg4iv170.25 (9)Zn3xviii—Mg1—Zn2ix52.85 (6)
Zn1iv—Zn1—Mg4iv63.77 (12)Zn3ix—Mg1—Zn2ix52.85 (6)
Zn1v—Zn1—Mg4iv116.87 (11)Zn3xix—Mg1—Zn2ix104.84 (14)
Mg4v—Zn1—Mg4iv67.0 (2)Zn2xix—Mg1—Zn2ix134.4 (3)
Zn2—Zn1—Mg470.51 (12)Mg1xii—Mg1—Mg2xiii63.76 (12)
Zn1i—Zn1—Mg4170.56 (11)Mg2—Mg1—Mg2xiii116.24 (12)
Zn1ii—Zn1—Mg463.74 (12)Zn3xvii—Mg1—Mg2xiii151.90 (3)
Zn1iii—Zn1—Mg463.74 (11)Zn3xviii—Mg1—Mg2xiii60.94 (6)
Zn1iv—Zn1—Mg4115.95 (8)Zn3ix—Mg1—Mg2xiii151.90 (3)
Zn1v—Zn1—Mg4115.95 (8)Zn3xix—Mg1—Mg2xiii60.94 (6)
Mg4v—Zn1—Mg4123.30 (13)Zn2xix—Mg1—Mg2xiii99.87 (3)
Mg4iv—Zn1—Mg4123.30 (13)Zn2ix—Mg1—Mg2xiii99.87 (3)
Zn2—Zn1—Mg368.92 (7)Mg1xii—Mg1—Mg2ix63.76 (12)
Zn1i—Zn1—Mg3116.30 (4)Mg2—Mg1—Mg2ix116.24 (12)
Zn1ii—Zn1—Mg3115.61 (10)Zn3xvii—Mg1—Mg2ix60.94 (6)
Zn1iii—Zn1—Mg363.80 (6)Zn3xviii—Mg1—Mg2ix151.90 (3)
Zn1iv—Zn1—Mg3170.11 (8)Zn3ix—Mg1—Mg2ix60.94 (6)
Zn1v—Zn1—Mg363.80 (6)Zn3xix—Mg1—Mg2ix151.90 (3)
Mg4v—Zn1—Mg365.81 (8)Zn2xix—Mg1—Mg2ix99.87 (3)
Mg4iv—Zn1—Mg3124.26 (13)Zn2ix—Mg1—Mg2ix99.87 (3)
Mg4—Zn1—Mg365.80 (4)Mg2xiii—Mg1—Mg2ix127.5 (2)
Zn2—Zn1—Mg3vi68.92 (7)Mg1xii—Mg1—Mg4xiv67.11 (11)
Zn1i—Zn1—Mg3vi116.30 (4)Mg2—Mg1—Mg4xiv112.89 (11)
Zn1ii—Zn1—Mg3vi63.80 (6)Zn3xvii—Mg1—Mg4xiv154.12 (10)
Zn1iii—Zn1—Mg3vi115.61 (10)Zn3xviii—Mg1—Mg4xiv56.57 (6)
Zn1iv—Zn1—Mg3vi63.80 (6)Zn3ix—Mg1—Mg4xiv99.06 (9)
Zn1v—Zn1—Mg3vi170.11 (8)Zn3xix—Mg1—Mg4xiv101.03 (9)
Mg4v—Zn1—Mg3vi124.26 (13)Zn2xix—Mg1—Mg4xiv152.15 (9)
Mg4iv—Zn1—Mg3vi65.81 (8)Zn2ix—Mg1—Mg4xiv54.38 (7)
Mg4—Zn1—Mg3vi65.80 (4)Mg2xiii—Mg1—Mg4xiv53.94 (10)
Mg3—Zn1—Mg3vi123.52 (12)Mg2ix—Mg1—Mg4xiv104.16 (15)
Al2—Al1—Mg4v65.90 (10)Mg1xii—Mg1—Mg4xv67.11 (11)
Al2—Al1—Mg4iv65.90 (10)Mg2—Mg1—Mg4xv112.89 (11)
Mg4v—Al1—Mg4iv67.0 (2)Zn3xvii—Mg1—Mg4xv56.57 (6)
Al2—Al1—Mg470.51 (12)Zn3xviii—Mg1—Mg4xv154.12 (10)
Mg4v—Al1—Mg4123.30 (13)Zn3ix—Mg1—Mg4xv101.03 (9)
Mg4iv—Al1—Mg4123.30 (13)Zn3xix—Mg1—Mg4xv99.06 (9)
Al2—Al1—Mg368.92 (7)Zn2xix—Mg1—Mg4xv54.38 (7)
Mg4v—Al1—Mg365.81 (8)Zn2ix—Mg1—Mg4xv152.15 (9)
Mg4iv—Al1—Mg3124.26 (13)Mg2xiii—Mg1—Mg4xv104.16 (15)
Mg4—Al1—Mg365.80 (4)Mg2ix—Mg1—Mg4xv53.94 (10)
Mg4v—Al1—Mg3vi124.26 (13)Mg4xiv—Mg1—Mg4xv134.2 (2)
Mg4iv—Al1—Mg3vi65.81 (8)Mg2—Zn4—Mg2xiii116.24 (12)
Mg4—Al1—Mg3vi65.80 (4)Mg2—Zn4—Mg2ix116.24 (12)
Mg3—Al1—Mg3vi123.52 (12)Mg2xiii—Zn4—Mg2ix127.5 (2)
Zn1—Zn2—Zn3119.04 (7)Zn4—Mg2—Mg4v112.20 (17)
Zn1—Zn2—Zn3vi119.04 (7)Mg1—Mg2—Mg4v112.20 (17)
Zn3—Zn2—Zn3vi116.85 (12)Zn4—Mg2—Mg4xvi112.20 (17)
Zn1—Zn2—Zn3vii115.37 (9)Mg1—Mg2—Mg4xvi112.20 (17)
Zn3—Zn2—Zn3vii60.31 (5)Mg4v—Mg2—Mg4xvi135.6 (3)
Zn3vi—Zn2—Zn3vii111.87 (10)Zn4—Mg2—Zn3xviii58.88 (12)
Zn1—Zn2—Zn3viii115.37 (9)Mg1—Mg2—Zn3xviii58.88 (12)
Zn3—Zn2—Zn3viii111.87 (10)Mg4v—Mg2—Zn3xviii150.62 (9)
Zn3vi—Zn2—Zn3viii60.32 (5)Mg4xvi—Mg2—Zn3xviii61.26 (10)
Zn3vii—Zn2—Zn3viii61.22 (10)Zn4—Mg2—Zn3xix58.88 (12)
Zn1—Zn2—Mg1vii128.24 (15)Mg1—Mg2—Zn3xix58.88 (12)
Zn3—Zn2—Mg1vii62.96 (7)Mg4v—Mg2—Zn3xix150.62 (9)
Zn3vi—Zn2—Mg1vii62.96 (7)Mg4xvi—Mg2—Zn3xix61.26 (10)
Zn3vii—Zn2—Mg1vii108.72 (12)Zn3xviii—Mg2—Zn3xix53.08 (9)
Zn3viii—Zn2—Mg1vii108.72 (12)Zn4—Mg2—Zn3xvii58.88 (12)
Zn1—Zn2—Mg4iv64.44 (12)Mg1—Mg2—Zn3xvii58.88 (12)
Zn3—Zn2—Mg4iv122.22 (13)Mg4v—Mg2—Zn3xvii61.26 (10)
Zn3vi—Zn2—Mg4iv66.64 (10)Mg4xvi—Mg2—Zn3xvii150.62 (9)
Zn3vii—Zn2—Mg4iv177.37 (12)Zn3xviii—Mg2—Zn3xvii117.8 (2)
Zn3viii—Zn2—Mg4iv116.31 (9)Zn3xix—Mg2—Zn3xvii93.81 (17)
Mg1vii—Zn2—Mg4iv72.71 (14)Zn4—Mg2—Zn3ix58.88 (12)
Zn1—Zn2—Mg4v64.44 (12)Mg1—Mg2—Zn3ix58.88 (12)
Zn3—Zn2—Mg4v66.64 (10)Mg4v—Mg2—Zn3ix61.26 (10)
Zn3vi—Zn2—Mg4v122.22 (13)Mg4xvi—Mg2—Zn3ix150.62 (9)
Zn3vii—Zn2—Mg4v116.31 (9)Zn3xviii—Mg2—Zn3ix93.81 (17)
Zn3viii—Zn2—Mg4v177.37 (12)Zn3xix—Mg2—Zn3ix117.8 (2)
Mg1vii—Zn2—Mg4v72.71 (14)Zn3xvii—Mg2—Zn3ix53.08 (9)
Mg4iv—Zn2—Mg4v66.13 (18)Mg1—Mg2—Zn3i100.57 (14)
Zn1—Zn2—Mg362.60 (13)Mg4v—Mg2—Zn3i61.23 (6)
Zn3—Zn2—Mg364.32 (11)Mg4xvi—Mg2—Zn3i110.04 (12)
Zn3vi—Zn2—Mg3174.25 (12)Zn3xviii—Mg2—Zn3i144.24 (15)
Zn3vii—Zn2—Mg363.38 (11)Zn3xix—Mg2—Zn3i91.61 (5)
Zn3viii—Zn2—Mg3113.93 (10)Zn3xvii—Mg2—Zn3i51.56 (6)
Mg1vii—Zn2—Mg3120.97 (7)Zn3ix—Mg2—Zn3i99.30 (6)
Mg4iv—Zn2—Mg3117.97 (16)Mg1—Mg2—Zn3x100.57 (14)
Mg4v—Zn2—Mg363.53 (10)Mg4v—Mg2—Zn3x110.04 (12)
Zn1—Zn2—Mg3vi62.60 (13)Mg4xvi—Mg2—Zn3x61.23 (6)
Zn3—Zn2—Mg3vi174.25 (12)Zn3xviii—Mg2—Zn3x51.56 (6)
Zn3vi—Zn2—Mg3vi64.32 (11)Zn3xix—Mg2—Zn3x99.30 (6)
Zn3vii—Zn2—Mg3vi113.93 (10)Zn3xvii—Mg2—Zn3x144.24 (15)
Zn3viii—Zn2—Mg3vi63.38 (11)Zn3ix—Mg2—Zn3x91.61 (5)
Mg1vii—Zn2—Mg3vi120.97 (7)Zn3i—Mg2—Zn3x158.9 (3)
Mg4iv—Zn2—Mg3vi63.53 (10)Mg1—Mg2—Zn3xx100.57 (14)
Mg4v—Zn2—Mg3vi117.97 (16)Mg4v—Mg2—Zn3xx110.04 (12)
Mg3—Zn2—Mg3vi113.9 (2)Mg4xvi—Mg2—Zn3xx61.23 (6)
Zn1—Zn2—Mg461.54 (11)Zn3xviii—Mg2—Zn3xx99.30 (6)
Zn3—Zn2—Mg4113.83 (8)Zn3xix—Mg2—Zn3xx51.56 (6)
Zn3vi—Zn2—Mg4113.82 (8)Zn3xvii—Mg2—Zn3xx91.61 (5)
Zn3vii—Zn2—Mg463.13 (10)Zn3ix—Mg2—Zn3xx144.24 (15)
Zn3viii—Zn2—Mg463.13 (10)Zn3i—Mg2—Zn3xx52.84 (7)
Mg1vii—Zn2—Mg4170.22 (18)Zn3x—Mg2—Zn3xx122.46 (11)
Mg4iv—Zn2—Mg4115.22 (17)Mg1—Mg2—Zn3100.57 (14)
Mg4v—Zn2—Mg4115.22 (17)Mg4v—Mg2—Zn361.23 (6)
Mg3—Zn2—Mg461.54 (6)Mg4xvi—Mg2—Zn3110.04 (12)
Mg3vi—Zn2—Mg461.55 (6)Zn3xviii—Mg2—Zn391.61 (5)
Zn1—Zn2—Mg2vii176.33 (15)Zn3xix—Mg2—Zn3144.23 (15)
Zn3—Zn2—Mg2vii61.85 (7)Zn3xvii—Mg2—Zn399.30 (6)
Zn3vi—Zn2—Mg2vii61.85 (7)Zn3ix—Mg2—Zn351.56 (6)
Zn3vii—Zn2—Mg2vii61.62 (11)Zn3i—Mg2—Zn3122.46 (11)
Zn3viii—Zn2—Mg2vii61.62 (11)Zn3x—Mg2—Zn352.84 (7)
Mg1vii—Zn2—Mg2vii55.43 (17)Zn3xx—Mg2—Zn3158.9 (3)
Mg4iv—Zn2—Mg2vii118.46 (14)Al1—Mg3—Zn1v52.40 (12)
Mg4v—Zn2—Mg2vii118.46 (14)Zn1—Mg3—Zn1v52.40 (12)
Mg3—Zn2—Mg2vii116.13 (13)Al1—Mg3—Zn1iii52.40 (12)
Mg3vi—Zn2—Mg2vii116.13 (13)Zn1—Mg3—Zn1iii52.40 (12)
Mg4—Zn2—Mg2vii114.79 (17)Zn1v—Mg3—Zn1iii52.40 (12)
Al1—Al2—Al3119.04 (7)Al1—Mg3—Zn3vii92.83 (7)
Al1—Al2—Mg4iv64.44 (12)Zn1—Mg3—Zn3vii92.83 (7)
Al3—Al2—Mg4iv122.22 (13)Zn1v—Mg3—Zn3vii144.35 (15)
Al1—Al2—Mg4v64.44 (12)Zn1iii—Mg3—Zn3vii115.83 (9)
Al3—Al2—Mg4v66.64 (10)Al1—Mg3—Zn3ix115.83 (9)
Mg4iv—Al2—Mg4v66.13 (18)Zn1—Mg3—Zn3ix115.83 (9)
Al1—Al2—Mg362.60 (13)Zn1v—Mg3—Zn3ix92.83 (7)
Al3—Al2—Mg364.32 (11)Zn1iii—Mg3—Zn3ix144.35 (15)
Mg4iv—Al2—Mg3117.97 (16)Zn3vii—Mg3—Zn3ix96.94 (15)
Mg4v—Al2—Mg363.53 (10)Zn1—Mg3—Zn3xi144.35 (15)
Mg4iv—Al2—Mg3vi63.53 (10)Zn1v—Mg3—Zn3xi115.83 (9)
Mg4v—Al2—Mg3vi117.97 (16)Zn1iii—Mg3—Zn3xi92.83 (7)
Mg3—Al2—Mg3vi113.9 (2)Zn3vii—Mg3—Zn3xi96.94 (15)
Al1—Al2—Mg461.54 (11)Zn3ix—Mg3—Zn3xi96.94 (15)
Al3—Al2—Mg4113.83 (8)Al1—Mg3—Zn3v145.06 (15)
Mg4iv—Al2—Mg4115.22 (17)Zn1—Mg3—Zn3v145.06 (15)
Mg4v—Al2—Mg4115.22 (17)Zn1v—Mg3—Zn3v93.44 (7)
Mg3—Al2—Mg461.54 (6)Zn1iii—Mg3—Zn3v115.79 (8)
Mg3vi—Al2—Mg461.55 (6)Zn3vii—Mg3—Zn3v119.2 (2)
Mg4iv—Al2—Mg2vii118.46 (14)Zn3ix—Mg3—Zn3v51.09 (6)
Mg4v—Al2—Mg2vii118.46 (14)Zn3xi—Mg3—Zn3v51.09 (6)
Mg3—Al2—Mg2vii116.13 (13)Al1—Mg3—Zn3iii115.79 (8)
Mg3vi—Al2—Mg2vii116.13 (13)Zn1—Mg3—Zn3iii115.79 (8)
Mg4—Al2—Mg2vii114.79 (17)Zn1v—Mg3—Zn3iii145.06 (15)
Zn2—Zn3—Zn3vii61.00 (9)Zn1iii—Mg3—Zn3iii93.44 (7)
Zn2—Zn3—Zn3ix119.01 (11)Zn3vii—Mg3—Zn3iii51.09 (6)
Zn3vii—Zn3—Zn3ix119.988 (3)Zn3ix—Mg3—Zn3iii119.2 (2)
Zn2—Zn3—Zn2ix177.08 (10)Zn3xi—Mg3—Zn3iii51.09 (6)
Zn3vii—Zn3—Zn2ix121.46 (10)Zn3v—Mg3—Zn3iii96.36 (15)
Zn3ix—Zn3—Zn2ix58.69 (8)Zn1—Mg3—Zn393.44 (7)
Zn2—Zn3—Zn3x121.32 (6)Zn1v—Mg3—Zn3115.79 (8)
Zn3vii—Zn3—Zn3x119.82 (6)Zn1iii—Mg3—Zn3145.06 (15)
Zn3ix—Zn3—Zn3x108.98 (5)Zn3vii—Mg3—Zn351.09 (6)
Zn2ix—Zn3—Zn3x59.39 (5)Zn3ix—Mg3—Zn351.10 (6)
Zn2—Zn3—Mg1vii64.19 (7)Zn3xi—Mg3—Zn3119.2 (2)
Zn3vii—Zn3—Mg1vii110.16 (12)Zn3v—Mg3—Zn396.36 (15)
Zn3ix—Zn3—Mg1vii122.82 (14)Zn3iii—Mg3—Zn396.36 (15)
Zn2ix—Zn3—Mg1vii115.14 (7)Al1—Mg3—Al393.44 (7)
Zn3x—Zn3—Mg1vii62.19 (4)Zn1—Mg3—Mg3xi149.35 (7)
Zn2—Zn3—Mg2vii69.06 (8)Zn1v—Mg3—Mg3xi149.35 (7)
Zn3vii—Zn3—Mg2vii64.47 (11)Zn1iii—Mg3—Mg3xi149.35 (7)
Zn3ix—Zn3—Mg2vii171.76 (10)Zn3vii—Mg3—Mg3xi59.82 (11)
Zn2ix—Zn3—Mg2vii113.19 (8)Zn3ix—Mg3—Mg3xi59.82 (11)
Zn3x—Zn3—Mg2vii63.46 (5)Zn3xi—Mg3—Mg3xi59.82 (11)
Mg1vii—Zn3—Mg2vii57.76 (17)Zn3v—Mg3—Mg3xi59.37 (11)
Zn2—Zn3—Mg2109.42 (14)Zn3iii—Mg3—Mg3xi59.37 (11)
Zn3vii—Zn3—Mg2170.40 (16)Zn3—Mg3—Mg3xi59.37 (11)
Zn3ix—Zn3—Mg263.98 (13)Zn1ii—Mg4—Zn1iii52.03 (11)
Zn2ix—Zn3—Mg268.14 (13)Zn1ii—Mg4—Zn152.49 (11)
Zn3x—Zn3—Mg263.58 (4)Zn1iii—Mg4—Zn152.49 (11)
Mg1vii—Zn3—Mg262.57 (17)Zn1ii—Mg4—Zn2ii49.65 (9)
Mg2vii—Zn3—Mg2112.84 (5)Zn1iii—Mg4—Zn2ii95.01 (15)
Zn2—Zn3—Mg3xi115.56 (11)Zn1—Mg4—Zn2ii96.84 (13)
Zn3vii—Zn3—Mg3xi64.72 (5)Al1—Mg4—Zn2ii96.84 (13)
Zn3ix—Zn3—Mg3xi64.72 (5)Zn1ii—Mg4—Zn2iii95.01 (15)
Zn2ix—Zn3—Mg3xi65.54 (10)Zn1iii—Mg4—Zn2iii49.65 (9)
Zn3x—Zn3—Mg3xi114.23 (11)Zn1—Mg4—Zn2iii96.84 (13)
Mg1vii—Zn3—Mg3xi172.04 (15)Al1—Mg4—Zn2iii96.84 (13)
Mg2vii—Zn3—Mg3xi114.38 (14)Zn2ii—Mg4—Zn2iii113.75 (18)
Mg2—Zn3—Mg3xi123.21 (14)Zn1ii—Mg4—Mg2iii149.90 (13)
Zn2—Zn3—Mg365.98 (10)Zn1iii—Mg4—Mg2iii149.90 (13)
Zn3vii—Zn3—Mg364.18 (5)Zn1—Mg4—Mg2iii148.4 (3)
Zn3ix—Zn3—Mg364.18 (5)Al1—Mg4—Mg2iii148.4 (3)
Zn2ix—Zn3—Mg3113.23 (11)Zn2ii—Mg4—Mg2iii100.28 (14)
Zn3x—Zn3—Mg3172.53 (8)Zn2iii—Mg4—Mg2iii100.28 (14)
Mg1vii—Zn3—Mg3123.50 (12)Zn1ii—Mg4—Zn3vii144.22 (19)
Mg2vii—Zn3—Mg3123.16 (7)Zn1iii—Mg4—Zn3vii115.20 (10)
Mg2—Zn3—Mg3113.61 (8)Zn1—Mg4—Zn3vii92.39 (15)
Mg3xi—Zn3—Mg360.8 (2)Al1—Mg4—Zn3vii92.39 (15)
Zn2—Zn3—Mg4ix116.38 (12)Zn2ii—Mg4—Zn3vii147.31 (15)
Zn3vii—Zn3—Mg4ix64.74 (10)Zn2iii—Mg4—Zn3vii96.06 (6)
Zn3ix—Zn3—Mg4ix115.34 (13)Mg2iii—Mg4—Zn3vii59.58 (16)
Zn2ix—Zn3—Mg4ix66.54 (11)Zn1ii—Mg4—Zn3viii115.20 (10)
Zn3x—Zn3—Mg4ix63.93 (5)Zn1iii—Mg4—Zn3viii144.22 (19)
Mg1vii—Zn3—Mg4ix109.42 (14)Zn1—Mg4—Zn3viii92.39 (15)
Mg2vii—Zn3—Mg4ix59.16 (14)Zn2ii—Mg4—Zn3viii96.06 (6)
Mg2—Zn3—Mg4ix122.67 (9)Zn2iii—Mg4—Zn3viii147.31 (15)
Mg3xi—Zn3—Mg4ix63.15 (12)Mg2iii—Mg4—Zn3viii59.58 (16)
Mg3—Zn3—Mg4ix115.37 (12)Zn3vii—Mg4—Zn3viii52.13 (11)
Zn2—Zn3—Mg4v62.78 (11)Zn1ii—Mg4—Zn3iii144.48 (15)
Zn3vii—Zn3—Mg4v113.70 (12)Zn1iii—Mg4—Zn3iii93.19 (7)
Zn3ix—Zn3—Mg4v64.55 (12)Zn1—Mg4—Zn3iii115.41 (10)
Zn2ix—Zn3—Mg4v114.31 (12)Al1—Mg4—Zn3iii115.41 (10)
Zn3x—Zn3—Mg4v117.80 (9)Zn2ii—Mg4—Zn3iii144.36 (19)
Mg1vii—Zn3—Mg4v71.72 (13)Zn2iii—Mg4—Zn3iii50.59 (5)
Mg2vii—Zn3—Mg4v121.16 (16)Mg2iii—Mg4—Zn3iii59.80 (9)
Mg2—Zn3—Mg4v58.97 (10)Zn3vii—Mg4—Zn3iii50.71 (7)
Mg3xi—Zn3—Mg4v115.64 (14)Zn3viii—Mg4—Zn3iii97.26 (15)
Mg3—Zn3—Mg4v62.93 (13)Zn1ii—Mg4—Zn3ii93.19 (7)
Mg4ix—Zn3—Mg4v178.26 (11)Zn1iii—Mg4—Zn3ii144.48 (15)
Al2—Al3—Mg2109.42 (14)Zn1—Mg4—Zn3ii115.41 (10)
Mg2vii—Al3—Mg2112.84 (5)Al1—Mg4—Zn3ii115.41 (10)
Mg2vii—Al3—Mg3xi114.38 (14)Zn2ii—Mg4—Zn3ii50.59 (5)
Mg2—Al3—Mg3xi123.21 (14)Zn2iii—Mg4—Zn3ii144.36 (19)
Al2—Al3—Mg365.98 (10)Mg2iii—Mg4—Zn3ii59.80 (9)
Mg2vii—Al3—Mg3123.16 (7)Zn3vii—Mg4—Zn3ii97.26 (15)
Mg2—Al3—Mg3113.61 (8)Zn3viii—Mg4—Zn3ii50.71 (7)
Mg3xi—Al3—Mg360.8 (2)Zn3iii—Mg4—Zn3ii119.59 (18)
Al2—Al3—Mg4ix116.38 (12)Zn1ii—Mg4—Zn294.76 (15)
Mg2vii—Al3—Mg4ix59.16 (14)Zn1iii—Mg4—Zn294.76 (15)
Mg2—Al3—Mg4ix122.67 (9)Zn1—Mg4—Zn247.95 (10)
Mg3xi—Al3—Mg4ix63.15 (12)Zn2ii—Mg4—Zn2118.41 (10)
Mg3—Al3—Mg4ix115.37 (12)Zn2iii—Mg4—Zn2118.41 (10)
Al2—Al3—Mg4v62.78 (11)Mg2iii—Mg4—Zn2100.4 (2)
Mg2vii—Al3—Mg4v121.16 (16)Zn3vii—Mg4—Zn250.33 (10)
Mg2—Al3—Mg4v58.97 (10)Zn3viii—Mg4—Zn250.33 (10)
Mg3xi—Al3—Mg4v115.64 (14)Zn3iii—Mg4—Zn295.31 (12)
Mg3—Al3—Mg4v62.93 (13)Zn3ii—Mg4—Zn295.31 (12)
Mg4ix—Al3—Mg4v178.26 (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) y1/2, 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, y1/2; (xiv) x+1/2, y+1/2, z+1/2; (xv) x+1/2, y+1/2, z1/2; (xvi) y, z+1, x; (xvii) z+1/2, x+1/2, y1/2; (xviii) z+1/2, x+1/2, y+1/2; (xix) z+1/2, x+1/2, y1/2; (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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