[Open access]

Acta Cryst. (2012). E68, i68-i69
[ doi:10.1107/S1600536812035040 ]

Redetermination of the low-temperature polymorph of Li2MnSiO4 from single-crystal X-ray data

M. Sato, T. Ishigaki, K. Uematsu, K. Toda and H. Okawa


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checkCIF/PLATON results

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Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.43 From the CIF: _reflns_number_total 423 Count of symmetry unique reflns 234 Completeness (_total/calc) 180.77% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 189 Fraction of Friedel pairs measured 0.808 Are heavy atom types Z>Si present yes PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT033_ALERT_4_G Flack x Parameter Value Deviates from Zero ..... 0.171 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT110_ALERT_2_G ADDSYM Detects Potential Lattice Centering or Halving . ? PLAT112_ALERT_2_G ADDSYM Detects Additional (Pseudo) Symm. Elem... S PLAT115_ALERT_5_G ADDSYM Detects Noncrystallographic Inversion ... 100 Perc. PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 Li 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 0 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 1 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 0 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 4 ALERT type 5 Informative message, check

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