Acta Cryst. (2006). E62, i32-i34  [ doi:10.1107/S1600536806002376 ]

The mixed-metal nitridophosphate Na₃TiN(PO₃)₃

I. V. Zatovsky, T. V. Vorobjova, K. V. Domasevitch, I. V. Ogorodnyk and N. S. Slobodyanik

Online 25 January 2006

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (P-N) = 0.004 Å
• R factor = 0.032
• wR factor = 0.079
• Data-to-parameter ratio = 7.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax .LT. 18) .....       7.87       

Alert level G
REFLT03_ALERT_4_G  WARNING: Large fraction of Friedel related reflns may
                     be needed to determine absolute structure
           From the CIF: _diffrn_reflns_theta_max           27.96
           From the CIF: _reflns_number_total                409
           Count of symmetry unique reflns          409
           Completeness (_total/calc)            100.00%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured         0
           Fraction of Friedel pairs measured     0.000
           Are heavy atom types Z>Si present        yes

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

   0 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
   1 ALERT type 4 Improvement, methodology, query or suggestion

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