Acta Cryst. (2007). E63, i171  [ doi:10.1107/S160053680703615X ]

Dipotassium hexafluoridozirconate(IV) hydrogen fluoride, K₂ZrF₆·HF

A. V. Gerasimenko, N. A. Didenko and V. Y. Kavun

Online 27 July 2007

Key indicators

• Single-crystal X-ray study
• T = 203 K
• Mean (r-F) = 0.001 Å
• R factor = 0.030
• wR factor = 0.071
• Data-to-parameter ratio = 55.5

checkCIF/PLATON results

No syntax errors found






Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio

Alert level G
ABSTM02_ALERT_3_G  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.443     0.535
            Tmin and Tmax expected:      0.277     0.442
            RR =      1.321
            Please check that your absorption correction is appropriate.
PLAT794_ALERT_5_G Check Predicted Bond Valency for Zr          (4)       3.93      

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

   3 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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