Acta Cryst. (2008). E64, i69-i70  [ doi:10.1107/S1600536808028365 ]

A second polymorph with composition Co₃(PO₄)₂·H₂O

Y. H. Lee, J. K. Clegg, L. F. Lindoy, G. Q. M. Lu, Y.-C. Park and Y. Kim

Online 13 September 2008

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (P-O) = 0.003 Å
• R factor = 0.033
• wR factor = 0.095
• Data-to-parameter ratio = 12.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT213_ALERT_2_C Atom Co2     has ADP max/min Ratio .............       3.10 oblat
PLAT220_ALERT_2_C Large Non-Solvent   Co     Ueq(max)/Ueq(min) ...       3.18 Ratio
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?

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:   H2 Co3 O9 P2
            Atom count from _chemical_formula_moiety:H2 O1
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          2      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   2 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
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check


checkCIF publication errors

Alert level A
PUBL024_ALERT_1_A The number of authors is greater than 5.
              Please specify the role of each of the co-authors
              for your paper.

   1 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing

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