Acta Cryst. (2005). E61, i91-i93  [ doi:10.1107/S1600536805012341 ]

Redetermination of the quaternary phase silver dicadmium gallium tetrasulfide, AgCd₂GaS₄

N. V. Pervukhina, V. V. Atuchin and O. V. Parasyuk

Online 27 April 2005

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (a-S) = 0.002 Å
• R factor = 0.038
• wR factor = 0.113
• Data-to-parameter ratio = 28.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.04       
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           32.57
           From the CIF: _reflns_number_total               1237
           Count of symmetry unique reflns          776
           Completeness (_total/calc)            159.41%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       461
           Fraction of Friedel pairs measured     0.594
           Are heavy atom types Z>Si present        yes

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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