[Open access]

Acta Cryst. (2013). E69, i23
[ doi:10.1107/S1600536813007848 ]

Rietveld refinement of AgCa10(PO4)7 from X-ray powder data

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

Key indicators

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 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O10 PLAT799_ALERT_4_C Numeric Label on Displacement Par. Record ...... ?
Alert level G PLAT152_ALERT_1_G The Supplied and Calc. Volume s.1. Differ by ... 2 Units PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 3 PLAT982_ALERT_1_G The Ag-f'= -0.060 Deviates from the IT-value 0.131 PLAT982_ALERT_1_G The Ca-f'= 0.341 Deviates from the IT-value 0.364 PLAT982_ALERT_1_G The O-f'= 0.047 Deviates from the IT-value 0.049 PLAT982_ALERT_1_G The P-f'= 0.283 Deviates from the IT-value 0.296
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 7 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 1 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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