Mg and Zn disorder in Mg1.59(1)Zn1.41(1)Sb2

Xia, S.-Q.; King, P.; Bobev, S.

doi:10.1107/S1600536806029953

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Mg and Zn disorder in Mg_1.59(1)Zn_1.41(1)Sb₂

S.-Q. Xia, P. King and S. Bobev

Single crystals of magnesium zinc diantimony, Mg_1.59 (1)Zn_1.41 (1)Sb₂, were grown by a reaction of elemental Mg, Zn and Sb in an excess of Zn acting as a flux. The compound crystallizes with the trigonal anti-La₂O₃ type (Pearson code hP5). The structure can be regarded as a substitutional derivative of α-Mg₃Sb₂ by replacing some of the Mg atoms in the tetrahedral postion (site symmetry 3m.) with Zn atoms. The other two atoms in the asymmetric unit also occupy special positions, viz. Mg ( $\overline{3}$ m.) and Sb (3m.).

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806029953/wm2027sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536806029953/wm2027Isup2.hkl Contains datablock I

checkCIF report

Key indicators

Single-crystal X-ray study
T = 120 K
Mean () = 0.000 Å
Disorder in main residue
R factor = 0.011
wR factor = 0.029
Data-to-parameter ratio = 11.8

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT301_ALERT_3_B Main Residue  Disorder .........................      31.00 Perc.

Alert level C
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT702_ALERT_1_C Angle   Calc    79.91(1), Rep    79.90(2), Dev..       1.10 Sigma
              MG1  -SB   -MG      7.676   1.555   1.565
PLAT702_ALERT_1_C Angle   Calc    79.91(1), Rep    79.90(2), Dev..       1.10 Sigma
              MG1  -SB   -MG      7.566   1.555   1.565
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1ZN1/MG1
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1ZN1/MG1
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1ZN1/MG1
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1SB
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1SB
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1SB
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1SB
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1SB
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1SB
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    SB     ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    ZN1/MG1ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    MG1    SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     ZN1/MG1
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     MG
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     MG
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     MG
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     MG
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     MG
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     MG
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     MG
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     MG
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     MG
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     MG
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     MG
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........    ZN1/MG1
                    ZN1/MG1SB     MG
PLAT731_ALERT_1_C Bond    Calc  3.0404(13), Rep   3.0403(6) ......       2.17 su-Ra
              MG   -SB      1.555   7.565
PLAT731_ALERT_1_C Bond    Calc  3.0404(13), Rep   3.0403(6) ......       2.17 su-Ra
              MG   -SB      1.555   1.545
PLAT731_ALERT_1_C Bond    Calc  3.0404(13), Rep   3.0403(6) ......       2.17 su-Ra
              MG   -SB      1.555   1.555
PLAT731_ALERT_1_C Bond    Calc  3.0404(13), Rep   3.0403(6) ......       2.17 su-Ra
              MG   -SB      1.555   7.555
PLAT731_ALERT_1_C Bond    Calc  3.0404(13), Rep   3.0403(6) ......       2.17 su-Ra
              MG   -SB      1.555   7.665
PLAT731_ALERT_1_C Bond    Calc  3.0404(13), Rep   3.0403(6) ......       2.17 su-Ra
              MG   -SB      1.555   1.445
PLAT731_ALERT_1_C Bond    Calc  3.0404(13), Rep   3.0403(6) ......       2.17 su-Ra
              SB   -MG      1.555   1.565
PLAT731_ALERT_1_C Bond    Calc  3.0404(13), Rep   3.0403(6) ......       2.17 su-Ra
              SB   -MG      1.555   1.665

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  95 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

  94 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: XP in SHELXTL; software used to prepare material for publication: SHELXTL.

magnesium zinc diantimony top

Crystal data top

Mg_1.59Zn_1.41Sb₂	D_x = 5.180 Mg m⁻³
M_r = 374.32	Mo Kα radiation, λ = 0.71073 Å
Trigonal, P3m1	Cell parameters from 1294 reflections
Hall symbol: -P 3 2"	θ = 2.8–26.1°
a = 4.3966 (9) Å	µ = 18.11 mm⁻¹
c = 7.171 (3) Å	T = 120 K
V = 120.04 (6) Å³	Irregular fragment, black
Z = 1	0.08 × 0.06 × 0.04 mm
F(000) = 163.3

Data collection top

Bruker SMART APEX diffractometer	118 independent reflections
Radiation source: fine-focus sealed tube	117 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.023
Detector resolution: 8.3 pixels mm^-1	θ_max = 26.1°, θ_min = 2.8°
ω scans	h = −5→5
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	k = −5→5
T_min = 0.287, T_max = 0.482	l = −8→8
1294 measured reflections

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F² > 2σ(F²)] = 0.011	Secondary atom site location: difference Fourier map
wR(F²) = 0.029	w = 1/[σ²(F_o²) + (0.017P)²] where P = (F_o² + 2F_c²)/3
S = 1.29	(Δ/σ)_max < 0.001
118 reflections	Δρ_max = 0.37 e Å⁻³
10 parameters	Δρ_min = −0.69 e Å⁻³

Special details top

Experimental. Crystals were selected and cut in Exxon Paratone N oil bath to the desired dimensions. A suitable one was chosen and mounted on a glass fiber and quickly placed under the cold nitrogen stream (ca 120 K) in a Bruker SMART CCD-based diffractometer. Data collection is performed with four batch runs at φ = 0.00 ° (450 frames), at φ = 90.00 ° (450 frames), at φ = 180.00 ° (450 frames), and at φ = 270.00 (450 frames). Frame width = 0.40 \& in ω. Data are merged, corrected for decay, and treated with multi-scan absorption corrections.

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

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	U_iso*/U_eq	Occ. (<1)
Mg	0.0000	0.0000	0.0000	0.0175 (5)
Zn1	0.3333	0.6667	0.62021 (10)	0.0145 (3)	0.703 (4)
Mg1	0.3333	0.6667	0.62021 (10)	0.0145 (3)	0.297 (4)
Sb	0.3333	0.6667	0.23336 (4)	0.01491 (17)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Mg	0.0184 (8)	0.0184 (8)	0.0156 (12)	0.0092 (4)	0.000	0.000
Zn1	0.0134 (3)	0.0134 (3)	0.0166 (4)	0.00671 (15)	0.000	0.000
Mg1	0.0134 (3)	0.0134 (3)	0.0166 (4)	0.00671 (15)	0.000	0.000
Sb	0.01617 (19)	0.01617 (19)	0.0124 (2)	0.00808 (9)	0.000	0.000

Geometric parameters (Å, º) top

Mg—Sbⁱ	3.0403 (6)	Zn1/Mg1—Sb	2.7740 (13)
Mg—Sbⁱⁱ	3.0403 (6)	Zn1/Mg1—Zn1/Mg1^vii	3.0685 (10)
Mg—Sb	3.0403 (6)	Zn1/Mg1—Zn1/Mg1^vi	3.0685 (10)
Mg—Sbⁱⁱⁱ	3.0403 (6)	Zn1/Mg1—Zn1/Mg1^viii	3.0685 (10)
Mg—Sb^iv	3.0403 (6)	Sb—Zn1/Mg1^vi	2.7470 (6)
Mg—Sb^v	3.0403 (6)	Sb—Zn1/Mg1^vii	2.7470 (6)
Zn1/Mg1—Sb^vi	2.7470 (6)	Sb—Zn1/Mg1^viii	2.7470 (6)
Zn1/Mg1—Sb^vii	2.7470 (6)	Sb—Mg^ix	3.0403 (6)
Zn1/Mg1—Sb^viii	2.7470 (6)	Sb—Mg^x	3.0403 (6)

Sbⁱ—Mg—Sbⁱⁱ	180.0	Sb^viii—Zn1/Mg1—Zn1/Mg1^viii	56.66 (2)
Sbⁱ—Mg—Sb	87.385 (17)	Sb—Zn1/Mg1—Zn1/Mg1^viii	55.82 (2)
Sbⁱⁱ—Mg—Sb	92.615 (17)	Zn1/Mg1^vii—Zn1/Mg1—Zn1/Mg1^viii	91.52 (3)
Sbⁱ—Mg—Sbⁱⁱⁱ	92.615 (17)	Mg1^vii—Zn1/Mg1—Zn1/Mg1^viii	91.52 (3)
Sbⁱⁱ—Mg—Sbⁱⁱⁱ	87.385 (17)	Zn1/Mg1^vi—Zn1/Mg1—Zn1/Mg1^viii	91.52 (3)
Sb—Mg—Sbⁱⁱⁱ	180.000 (8)	Mg1^vi—Zn1/Mg1—Zn1/Mg1^viii	91.52 (3)
Sbⁱ—Mg—Sb^iv	92.615 (17)	Mg1^viii—Zn1/Mg1—Zn1/Mg1^viii	0.00 (2)
Sbⁱⁱ—Mg—Sb^iv	87.385 (17)	Mg1^vi—Sb—Zn1/Mg1^vii	106.311 (18)
Sb—Mg—Sb^iv	87.385 (17)	Zn1/Mg1^vi—Sb—Zn1/Mg1^vii	106.311 (18)
Sbⁱⁱⁱ—Mg—Sb^iv	92.615 (17)	Mg1^vi—Sb—Zn1/Mg1^vii	106.311 (18)
Sbⁱ—Mg—Sb^v	87.385 (17)	Zn1/Mg1^vi—Sb—Zn1/Mg1^vii	106.311 (18)
Sbⁱⁱ—Mg—Sb^v	92.615 (17)	Mg1^vii—Sb—Zn1/Mg1^vii	0.00 (3)
Sb—Mg—Sb^v	92.615 (17)	Mg1^vi—Sb—Zn1/Mg1^viii	106.311 (19)
Sbⁱⁱⁱ—Mg—Sb^v	87.385 (17)	Zn1/Mg1^vi—Sb—Zn1/Mg1^viii	106.311 (19)
Sb^iv—Mg—Sb^v	180.0	Mg1^vii—Sb—Zn1/Mg1^viii	106.311 (19)
Sb^vi—Zn1/Mg1—Sb^vii	106.311 (19)	Zn1/Mg1^vii—Sb—Zn1/Mg1^viii	106.311 (19)
Sb^vi—Zn1/Mg1—Sb^viii	106.311 (18)	Mg1^vi—Sb—Zn1/Mg1^viii	106.311 (19)
Sb^vii—Zn1/Mg1—Sb^viii	106.311 (19)	Zn1/Mg1^vi—Sb—Zn1/Mg1^viii	106.311 (19)
Sb^vi—Zn1/Mg1—Sb	112.472 (17)	Mg1^vii—Sb—Zn1/Mg1^viii	106.311 (19)
Sb^vii—Zn1/Mg1—Sb	112.472 (17)	Zn1/Mg1^vii—Sb—Zn1/Mg1^viii	106.311 (19)
Sb^viii—Zn1/Mg1—Sb	112.472 (17)	Mg1^vi—Sb—Zn1/Mg1	67.528 (17)
Sb^vi—Zn1/Mg1—Zn1/Mg1^vii	126.654 (7)	Zn1/Mg1^vi—Sb—Zn1/Mg1	67.528 (17)
Sb^vii—Zn1/Mg1—Zn1/Mg1^vii	56.66 (2)	Mg1^vii—Sb—Zn1/Mg1	67.528 (17)
Sb^viii—Zn1/Mg1—Zn1/Mg1^vii	126.653 (7)	Zn1/Mg1^vii—Sb—Zn1/Mg1	67.528 (17)
Sb—Zn1/Mg1—Zn1/Mg1^vii	55.82 (2)	Mg1^viii—Sb—Zn1/Mg1	67.528 (17)
Sb^vi—Zn1/Mg1—Zn1/Mg1^vii	126.654 (7)	Zn1/Mg1^viii—Sb—Zn1/Mg1	67.528 (17)
Sb^vii—Zn1/Mg1—Zn1/Mg1^vii	56.66 (2)	Mg1^vi—Sb—Mg^ix	79.899 (16)
Sb^viii—Zn1/Mg1—Zn1/Mg1^vii	126.653 (7)	Zn1/Mg1^vi—Sb—Mg^ix	79.899 (16)
Sb—Zn1/Mg1—Zn1/Mg1^vii	55.82 (2)	Mg1^vii—Sb—Mg^ix	79.899 (16)
Sb^vi—Zn1/Mg1—Zn1/Mg1^vi	56.66 (2)	Zn1/Mg1^vii—Sb—Mg^ix	79.899 (16)
Sb^vii—Zn1/Mg1—Zn1/Mg1^vi	126.654 (7)	Mg1^viii—Sb—Mg^ix	169.079 (16)
Sb^viii—Zn1/Mg1—Zn1/Mg1^vi	126.653 (7)	Zn1/Mg1^viii—Sb—Mg^ix	169.079 (16)
Sb—Zn1/Mg1—Zn1/Mg1^vi	55.82 (2)	Zn1/Mg1—Sb—Mg^ix	123.393 (12)
Zn1/Mg1^vii—Zn1/Mg1—Zn1/Mg1^vi	91.52 (3)	Mg1^vi—Sb—Mg	169.079 (16)
Mg1^vii—Zn1/Mg1—Zn1/Mg1^vi	91.52 (3)	Zn1/Mg1^vi—Sb—Mg	169.079 (16)
Sb^vi—Zn1/Mg1—Zn1/Mg1^vi	56.66 (2)	Mg1^vii—Sb—Mg	79.899 (16)
Sb^vii—Zn1/Mg1—Zn1/Mg1^vi	126.654 (7)	Zn1/Mg1^vii—Sb—Mg	79.899 (16)
Sb^viii—Zn1/Mg1—Zn1/Mg1^vi	126.653 (7)	Mg1^viii—Sb—Mg	79.899 (15)
Sb—Zn1/Mg1—Zn1/Mg1^vi	55.82 (2)	Zn1/Mg1^viii—Sb—Mg	79.899 (15)
Zn1/Mg1^vii—Zn1/Mg1—Zn1/Mg1^vi	91.52 (3)	Zn1/Mg1—Sb—Mg	123.393 (12)
Mg1^vii—Zn1/Mg1—Zn1/Mg1^vi	91.52 (3)	Mg^ix—Sb—Mg	92.615 (17)
Sb^vi—Zn1/Mg1—Zn1/Mg1^viii	126.653 (7)	Mg1^vi—Sb—Mg^x	79.899 (16)
Sb^vii—Zn1/Mg1—Zn1/Mg1^viii	126.653 (7)	Zn1/Mg1^vi—Sb—Mg^x	79.899 (16)
Sb^viii—Zn1/Mg1—Zn1/Mg1^viii	56.66 (2)	Mg1^vii—Sb—Mg^x	169.079 (17)
Sb—Zn1/Mg1—Zn1/Mg1^viii	55.82 (2)	Zn1/Mg1^vii—Sb—Mg^x	169.079 (17)
Zn1/Mg1^vii—Zn1/Mg1—Zn1/Mg1^viii	91.52 (3)	Mg1^viii—Sb—Mg^x	79.899 (16)
Mg1^vii—Zn1/Mg1—Zn1/Mg1^viii	91.52 (3)	Zn1/Mg1^viii—Sb—Mg^x	79.899 (16)
Zn1/Mg1^vi—Zn1/Mg1—Zn1/Mg1^viii	91.52 (3)	Zn1/Mg1—Sb—Mg^x	123.393 (12)
Mg1^vi—Zn1/Mg1—Zn1/Mg1^viii	91.52 (3)	Mg^ix—Sb—Mg^x	92.615 (17)
Sb^vi—Zn1/Mg1—Zn1/Mg1^viii	126.653 (7)	Mg—Sb—Mg^x	92.615 (17)
Sb^vii—Zn1/Mg1—Zn1/Mg1^viii	126.653 (7)

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

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