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Acta Cryst. (2006). E62, i184-i186 [ doi:10.1107/S1600536806029953 ]
Mg and Zn disorder in Mg1.59(1)Zn1.41(1)Sb2
Online 4 August 2006
Key indicators
- Single-crystal X-ray study
- T = 120 K
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
() = 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
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