[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Issue contents]  [Buy article online]

Acta Cryst. (2005). E61, i140-i142  [ doi:10.1107/S1600536805018854 ]

Apatite-type Ba5(VO4)3Cl

Y.-H. Roh and S.-T. Hong

Online 6 July 2005

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level B GOODF01_ALERT_2_B The least squares goodness of fit parameter lies outside the range 0.60 <> 4.00 Goodness of fit given = 0.461
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10 Tmin and Tmax reported: 0.170 0.220 Tmin and Tmax expected: 0.130 0.225 RR = 1.334 Please check that your absorption correction is appropriate. PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.30 PLAT086_ALERT_2_C Unsatisfactory S Value (Too Low or Not Given) .. 0.46 PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) ..... 10 Ang.
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: Ba5 Cl1 O12 V3 Atom count from _chemical_formula_moiety:
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 2 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 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Copyright © International Union of Crystallography
IUCr Webmaster