Acta Cryst. (2008). E64, i36  [ doi:10.1107/S1600536808014633 ]

The alluaudite-like arsenate NaCaMg₃(AsO₄)₃

A. Haj Abdallah and A. Haddad

Online 21 May 2008

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (As-O) = 0.003 Å
• Disorder in solvent or counterion
• R factor = 0.023
• wR factor = 0.061
• Data-to-parameter ratio = 11.5

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT213_ALERT_2_A Atom O4      has ADP max/min Ratio .............       6.20 prola
PLAT213_ALERT_2_A Atom O5      has ADP max/min Ratio .............       5.10 prola

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.110     0.180
            Tmin and Tmax expected:      0.079     0.182
            RR =      1.421
            Please check that your absorption correction is appropriate.
PLAT213_ALERT_2_C Atom O6      has ADP max/min Ratio .............       3.20 oblat
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.74      
PLAT060_ALERT_4_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       1.37      
PLAT180_ALERT_4_C Check Cell Rounding: # of Values Ending with 0 =          3      

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    
PLAT302_ALERT_4_G Anion/Solvent Disorder .........................      50.00 Perc.

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

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

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