Acta Cryst. (2009). E65, i16-i17  [ doi:10.1107/S1600536809005054 ]

Rietveld refinement of Sr₅(AsO₄)₃Cl from high-resolution synchrotron data

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

Online 21 February 2009

Key indicators

• Powder synchrotron study
• T = 298 K
• Mean (As-O) = 0.020 Å
• R factor = 0.000
• wR factor = 0.000
• Data-to-parameter ratio = 0.0

checkCIF/PLATON results

No syntax errors found




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. 
PLAT150_ALERT_1_C Volume as Calculated Differs from that Given ...     655.63 Ang-3
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?

Alert level G
PLAT092_ALERT_4_G Check: Wavelength given is not Cu,Mo or Ag Ka ..       1.00 Ang. 

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

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

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