[Open access]

Acta Cryst. (2012). E68, i80-i81
[ doi:10.1107/S1600536812041876 ]

LiNa5Mo9O30

H. Hamza, I. Ennajeh, M. F. Zid and A. Driss


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C STRVA01_ALERT_4_C Flack test results are ambiguous. From the CIF: _refine_ls_abs_structure_Flack 0.510 From the CIF: _refine_ls_abs_structure_Flack_su 0.100 PLAT214_ALERT_2_C Atom Li1 (Anion/Solvent) ADP max/min Ratio 4.1 oblat PLAT975_ALERT_2_C Positive Residual Density at 1.10A from O5 . 0.89 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 0.63A from O15 . 0.86 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 0.69A from O6 . 0.84 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 0.65A from O4 . 0.81 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 0.98A from O12 . 0.75 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 0.98A from O12 . 0.75 eA-3
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 26.96 From the CIF: _reflns_number_total 2605 Count of symmetry unique reflns 1346 Completeness (_total/calc) 193.54% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1259 Fraction of Friedel pairs measured 0.935 Are heavy atom types Z>Si present yes PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT033_ALERT_4_G Flack x Parameter Value Deviates from Zero ..... 0.510 PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 107.14 PLAT112_ALERT_2_G ADDSYM Detects Additional (Pseudo) Symm. Elem... d PLAT112_ALERT_2_G ADDSYM Detects Additional (Pseudo) Symm. Elem... d PLAT158_ALERT_4_G The Input Unitcell is NOT Standard/Reduced ..... ?
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 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 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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