Acta Cryst. (2009). E65, i38-i39  [ doi:10.1107/S1600536809015438 ]

Potassium nickel(II) gallium phosphate hydrate, K[NiGa₂(PO₄)₃(H₂O)₂]

A. M. Chippindale, A. V. Sharma and S. J. Hibble

Online 30 April 2009

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (P-O) = 0.001 Å
• R factor = 0.022
• wR factor = 0.025
• Data-to-parameter ratio = 16.2

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   150.000
            Value of melting point given =     0.000
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT731_ALERT_1_C Bond    Calc     0.85(3), Rep   0.850(10) ......       3.00 su-Ra
              O4   -H1      1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc     0.84(4), Rep   0.848(10) ......       4.00 su-Ra
              O4   -H2      1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.85(3), Rep   0.850(10) ......       3.00 su-Ra
              O4   -H1      1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.84(4), Rep   0.850(10) ......       4.00 su-Ra
              O4   -H2      1.555   1.555                                      
PLAT736_ALERT_1_C H...A   Calc     1.89(3), Rep   1.896(11) ......       2.73 su-Ra
              H1   -O5      1.555   6.555                                      

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          3      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   6 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 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

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