Acta Cryst. (2007). E63, i196  [ doi:10.1107/S1600536807057583 ]

Barium chromium oxide, Ba₃Cr₂O₈, as grown by the traveling solvent floating-zone technique

A. A. Aczel, H. A. Dabkowska, J. F. Britten, L. E. Harrington and G. M. Luke

Online 21 November 2007

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (r-O) = 0.001 Å
• R factor = 0.021
• wR factor = 0.051
• Data-to-parameter ratio = 48.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT731_ALERT_1_C Bond    Calc   2.9267(5), Rep   2.9268(2) ......       2.50 su-Ra
              BA2  -O1      1.555   7.454                                      
PLAT731_ALERT_1_C Bond    Calc   2.9267(5), Rep   2.9268(2) ......       2.50 su-Ra
              BA2  -O1      1.555   7.344                                      
PLAT731_ALERT_1_C Bond    Calc   2.9267(6), Rep   2.9268(2) ......       3.00 su-Ra
              BA2  -O1      1.555   9.564                                      
PLAT731_ALERT_1_C Bond    Calc   2.9267(7), Rep   2.9268(2) ......       3.50 su-Ra
              BA2  -O1      1.555   8.544                                      
PLAT731_ALERT_1_C Bond    Calc   2.9267(7), Rep   2.9268(2) ......       3.50 su-Ra
              BA2  -O1      1.555   8.444                                      
PLAT731_ALERT_1_C Bond    Calc   2.9267(6), Rep   2.9268(2) ......       3.00 su-Ra
              BA2  -O1      1.555   9.554                                      
PLAT731_ALERT_1_C Bond    Calc   2.9267(5), Rep   2.9268(2) ......       2.50 su-Ra
              O1   -BA2     1.555  13.545                                      
PLAT731_ALERT_1_C Bond    Calc   2.9267(5), Rep   2.9268(2) ......       2.50 su-Ra
              O1   -BA2     1.555  13.655                                      

Alert level G
PLAT794_ALERT_5_G Check Predicted Bond Valency for Cr1         (5)       4.66      

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

   9 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
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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