Acta Cryst. (2009). E65, i30  [ doi:10.1107/S1600536809009210 ]

Na₄Fe²⁺Fe³⁺(PO₄)₃, a new synthetic NASICON-type phosphate

F. Hatert

Online 19 March 2009

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (P-O) = 0.008 Å
• R factor = 0.052
• wR factor = 0.125
• Data-to-parameter ratio = 8.4

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   293.000
            Value of melting point given =     0.000
PLAT088_ALERT_3_C Poor Data / Parameter Ratio ....................       8.40      
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?

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:   Fe2 Na4 O12 P3
            Atom count from _chemical_formula_moiety:
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
   0 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   5 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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