Acta Cryst. (2009). E65, i63-i64  [ doi:10.1107/S1600536809027573 ]

Rietveld refinement of langbeinite-type K₂YHf(PO₄)₃

I. V. Ogorodnyk, I. V. Zatovsky and N. S. Slobodyanik

Online 18 July 2009

Key indicators

• Powder X-ray study
• T = 293 K
• Mean (P-O) = 0.017 Å
• Disorder in main residue
• 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
PLAT087_ALERT_2_C Unsatisfactory S value (Too High) ..............       2.51      
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O4     
PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) .....          9 Ang. 

Alert level G
PLAT301_ALERT_3_G Note Main Residue  Disorder ....................      11.00 Perc.
PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms ....          !

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

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

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