Acta Cryst. (2009). E65, i22  [ doi:10.1107/S1600536809007193 ]

An orthorhombic polymorph of the ultraphosphate YP₅O₁₄

A. Mbarek, A. Oudahmane, M. El-Ghozzi and D. Avignant

Online 6 March 2009

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (P-O) = 0.004 Å
• R factor = 0.030
• wR factor = 0.110
• Data-to-parameter ratio = 12.3

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.330     0.460
            Tmin and Tmax expected:      0.300     0.474
            RR =      1.134
            Please check that your absorption correction is appropriate.
            Value of measurement temperature given =   296.000
            Value of melting point given =     0.000
PLAT083_ALERT_2_C SHELXL Second Parameter in WGHT unusually Large.       6.00      
PLAT395_ALERT_2_C Deviating  X-O-Y  Angle from 120 Deg for      O5     140.40 Deg. 
PLAT060_ALERT_4_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       1.14      
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       1.03      

Alert level G
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

   1 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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