Acta Cryst. (2004). E60, i108-i110  [ doi:10.1107/S1600536804018513 ]

RbPbPS₄

J. Yao and J. A. Ibers

Key indicators

• Single-crystal X-ray study
• T = 153 K
• Mean (S-P) = 0.002 Å
• R factor = 0.020
• wR factor = 0.049
• Data-to-parameter ratio = 27.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.96       

Alert level C
STRVA01_ALERT_4_C           Flack test results are ambiguous.
           From the CIF: _refine_ls_abs_structure_Flack    0.550
           From the CIF: _refine_ls_abs_structure_Flack_su    0.007
PLAT033_ALERT_2_C Flack Parameter Value Deviates from Zero .......       0.55       
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?

Alert level G
ABSTM02_ALERT_3_G  The ratio of expected to reported Tmax/Tmin(RR) is > 2.00
            Tmin and Tmax reported:      0.047     0.603
            Tmin and Tmax expected:      0.010     0.613
            RR =      4.708
            Please check that your absorption correction is appropriate.
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           28.82
           From the CIF: _reflns_number_total               1807
           Count of symmetry unique reflns         1153
           Completeness (_total/calc)            156.72%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       654
           Fraction of Friedel pairs measured     0.567
           Are heavy atom types Z>Si present          yes

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

   1 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
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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