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Acta Cryst. (2006). E62, i109-i111 [ doi:10.1107/S1600536806011044 ]
Inversion parameter of the CoGa2O4 spinel determined from single-crystal X-ray data
Online 5 April 2006
Key indicators
- Single-crystal X-ray study
- T = 296 K
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
() = 0.000 Å
- Disorder in main residue
- R factor = 0.017
- wR factor = 0.023
- Data-to-parameter ratio = 23.9
checkCIF/PLATON results
No syntax errors found
Alert level B
PLAT110_ALERT_2_B ADDSYM Detects Potential Lattice Centering or Halving . ?
PLAT110_ALERT_2_B ADDSYM Detects Potential Lattice Centering or Halving . ?
PLAT110_ALERT_2_B ADDSYM Detects Potential Lattice Centering or Halving . ?
PLAT110_ALERT_2_B ADDSYM Detects Potential Lattice Centering or Halving . ?
PLAT110_ALERT_2_B ADDSYM Detects Potential Lattice Centering or Halving . ?
PLAT110_ALERT_2_B ADDSYM Detects Potential Lattice Centering or Halving . ?
PLAT110_ALERT_2_B ADDSYM Detects Potential Lattice Centering or Halving . ?
PLAT301_ALERT_3_B Main Residue Disorder ......................... 39.00 Perc.
Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.25 Ratio
PLAT128_ALERT_4_C Non-standard setting of Space group .... Fd-3m
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CO1/GA1
CO1/GA1O
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CO1/GA1
CO1/GA1O
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CO1/GA1
CO1/GA1O
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CO1/GA1
CO1/GA1O
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CO2/GA2
CO2/GA2O
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CO2/GA2
CO2/GA2O
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CO2/GA2
CO2/GA2O
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CO2/GA2
CO2/GA2O
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CO2/GA2
CO2/GA2O
PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CO2/GA2
CO2/GA2O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO1/GA1
O CO1/GA1O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO1/GA1
O CO1/GA1O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO1/GA1
O CO1/GA1O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO1/GA1
O CO1/GA1O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO1/GA1
O CO1/GA1O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO1/GA1
O CO1/GA1O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
O CO2/GA2O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
O CO2/GA2O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
O CO2/GA2O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
O CO2/GA2O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
O CO2/GA2O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
O CO2/GA2O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
O CO2/GA2O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
O CO2/GA2O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
O CO2/GA2O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
O CO2/GA2O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
O CO2/GA2O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
O CO2/GA2O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
O CO2/GA2O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
O CO2/GA2O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
O CO2/GA2O
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO1/GA1
CO1/GA1O CO/GA2
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO1/GA1
CO1/GA1O CO/GA2
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO1/GA1
CO1/GA1O CO/GA2
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
CO2/GA2O CO/GA2
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
CO2/GA2O CO/GA2
PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CO2/GA2
CO2/GA2O CO/GA2
Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
correct. If it is not, please give the correct count in the
_publ_section_exptl_refinement section of the submitted CIF.
From the CIF: _diffrn_reflns_theta_max 60.00
From the CIF: _reflns_number_total 248
Count of symmetry unique reflns 0
Completeness (_total/calc) Infinity %
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 248
Fraction of Friedel pairs measured Infinity
Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem
8 ALERT level B = Potentially serious problem
40 ALERT level C = Check and explain
1 ALERT level G = General alerts; check
39 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
7 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
2 ALERT type 4 Improvement, methodology, query or suggestion
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