[Open access]

Acta Cryst. (2013). E69, i8-i9
[ doi:10.1107/S1600536813001013 ]

Pirquitasite, Ag2ZnSnS4

B. N. Schumer, R. T. Downs, K. J. Domanik, M. B. Andrade and M. J. Origlieri


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C STRVA01_ALERT_2_C Chirality of atom sites is inverted? From the CIF: _refine_ls_abs_structure_Flack 0.910 From the CIF: _refine_ls_abs_structure_Flack_su 0.060 PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms .. ? PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 81 Perc.
Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT152_ALERT_1_G The Supplied and Calc. Volume s.1. Differ by ... 3 Units PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 23 Perc. PLAT794_ALERT_5_G Note: Tentative Bond Valency for Sn (IV) 3.91 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Ag1 (I) 1.27 PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 4 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 12 ALERT level G = General information/check it is not something unexpected 6 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 3 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 6 ALERT type 5 Informative message, check

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