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Acta Cryst. (2005). E61, i188-i190  [ doi:10.1107/S1600536805022348 ]

Potassium sodium phyllosilicate, K1.33Na0.67Si2O5

A. L. Spek and B. H. W. S. Jong

Online 27 July 2005


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Alert level C ABSTM02_ALERT_3_C The ratio of Tmax/Tmin expected RT(exp) is > 1.10 Absorption corrections should be applied. Tmin and Tmax expected: 0.609 0.711 RT(exp) = 1.167 PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.33 Ratio PLAT057_ALERT_3_C Correction for Absorption Required RT(exp) ... 1.17 PLAT213_ALERT_2_C Atom O22 has ADP max/min Ratio ............. 3.10 prolat PLAT213_ALERT_2_C Atom O23 has ADP max/min Ratio ............. 3.60 prolat PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 2.96 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Si2 PLAT396_ALERT_2_C Deviating Si-O-Si Angle from 150 Deg for O23 165.10 Deg.
Alert level G CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G ALERT: check formula stoichiometry or atom site occupancies. From the CIF: _cell_formula_units_Z 12 From the CIF: _chemical_formula_sum K1.33 Na0.67 O5 Si2 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff K 15.96 16.00 -0.04 Na 8.04 8.00 0.04 O 60.00 60.00 0.00 Si 24.00 24.00 0.00
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

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