Acta Cryst. (2008). E64, i74  [ doi:10.1107/S1600536808032972 ]

An orthorhombic polymorph of cerium(III) ultraphosphate, CeP₅O₁₄

J. Zhu, W.-D. Cheng and H. Zhang

Online 15 October 2008

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (P-O) = 0.007 Å
• R factor = 0.048
• wR factor = 0.094
• Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found




Alert level B
CHEMS01_ALERT_1_B  The sum formula contains elements in the wrong order.
            P  precedes O
            Sequence must be C, H, then alphabetical.

Alert level C
            Value of measurement temperature given =   293.000
            Value of melting point given =     0.000
PLAT213_ALERT_2_C Atom O3      has ADP max/min Ratio .............       3.20 prola
PLAT213_ALERT_2_C Atom O5      has ADP max/min Ratio .............       3.80 prola
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O3     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O5     
PLAT395_ALERT_2_C Deviating  X-O-Y  Angle from 120 Deg for      O3     141.90 Deg. 
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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