(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2005). E61, i223-i224 [ doi:10.1107/S1600536805031168 ]

Reinvestigation of Na₃P based on single-crystal data

Y. Dong and F. J. DiSalvo

Online 8 October 2005

Key indicators

Single-crystal X-ray study
T = 165 K
Mean () = 0.000 Å
R factor = 0.039
wR factor = 0.084
Data-to-parameter ratio = 17.2

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.93

Author Response: The measured fraction is close to one, but below by only 7 %. However, the ratio of independent reflections to the number of independent parameters is greater than 17. There is only one free positional parameter for one atom, Na(2), in the three atom asymmetric unit at 1/3,2/3,z. We determine z = 0.5806(2). This value would not change if we included the few uncollected reflections. So we feel that the test is not important for this case.


Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?

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

   1 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

Reinvestigation of Na3P based on single-crystal data

Y. Dong and F. J. DiSalvo

Key indicators

checkCIF/PLATON results

Reinvestigation of Na₃P based on single-crystal data