Acta Cryst. (2008). E64, i63-i64  [ doi:10.1107/S1600536808026901 ]

Rietveld refinement of Ba₅(AsO₄)₃Cl from high-resolution synchrotron data

A. M. T. Bell, C. M. B. Henderson, R. F. Wendlandt and W. J. Harrison

Online 23 August 2008

Key indicators

• Powder synchrotron study
• T = 298 K
• Mean (As-O) = 0.040 Å
• R factor = 0.001
• wR factor = 0.001
• Data-to-parameter ratio = 0.0

checkCIF/PLATON results

No syntax errors found




Alert level B
            Crystal system given = hexagonal
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        As1     

Alert level C
REFI023_ALERT_1_C  _refine_diff_density_max is missing
            Maximum value of final difference map (e A-3).
            The following tests will not be performed
            DIFMN_01,DIFMX_01,DIFMX_02
REFI024_ALERT_1_C  _refine_diff_density_min is missing
            Minimum value of final difference map (e A-3).
            The following tests will not be performed
            DIFMN_01,DIFMN_02,DIFMN_03
PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) .....         10 Ang. 

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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