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Acta Cryst. (2014). E70, i6  [ doi:10.1107/S1600536813033850 ]

The aluminoarsenate Na1.67K1.33Al3(AsO4)4

M. A. Bouhassine and H. Boughzala


Key indicators

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Alert level B PLAT971_ALERT_2_B Large Calcd. Non-Metal Positive Residual Density 2.53 eA-3
Alert level C PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms .. Please Check PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 9.29 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.1 Note PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.32 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.22 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 0.43A from O4 . 0.51 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 0.73A from O1 . 0.41 eA-3
Alert level G PLAT004_ALERT_5_G Polymeric Structure Found with Dimension ....... 1 Info PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 2 Note PLAT302_ALERT_4_G Anion/Solvent Disorder ............ Percentage = 100 Note PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 1 Note PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 1 Why ?
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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