Acta Cryst. (2003). E59, i125-i128  [ doi:10.1107/S1600536803017537 ]

Mg-rich wolfeite, (Fe^II,Mg)₂(PO₄)(OH): structure refinement and Raman spectroscopic data

U. Kolitsch

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (P-O) = 0.001 Å
• R factor = 0.022
• wR factor = 0.065
• Data-to-parameter ratio = 17.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O18    -   H2                ?         
PLAT420_ALERT_2_B D-H Without Acceptor       O20    -   H4                ?         

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ..          ?  
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ..........       0.06 Ratio   
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing).          ?  
PLAT301_ALERT_3_C Main Residue  Disorder .......................      11.00 Perc.   

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

   3 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

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