Acta Cryst. (2006). E62, i210-i212  [ doi:10.1107/S1600536806036531 ]

TlPbPS₄

I. Belkyal, M. El Azhari, W. Bensch and W. Depmeier

Online 20 September 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (S-P) = 0.005 Å
• R factor = 0.046
• wR factor = 0.125
• Data-to-parameter ratio = 22.5

checkCIF/PLATON results

No syntax errors found




Alert level C
CRYSC01_ALERT_1_C No recognised colour has been given for crystal colour.
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.114
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.11      
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT126_ALERT_1_C Error in or Uninterpretable Hall Symbol  .......    P N M A      
PLAT127_ALERT_1_C Implicit Hall Symbol  Inconsistent with Explicit    P n m a      

Alert level G
ABSTM02_ALERT_3_G  The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
            Tmin and Tmax reported:      0.004     0.046
            Tmin(prime) and Tmax expected:      0.015     0.090
            RR(prime) =      0.567
            Please check that your absorption correction is appropriate.
CHEMS02_ALERT_1_G  Please check that you have entered the correct
            _publ_requested_category classification of your compound;
            FI or CI or EI for inorganic; FM or CM or EM for metal-organic;
            FO or CO or EO for organic.
            From the CIF: _publ_requested_category   EO
            From the CIF: _chemical_formula_sum:P1 Pb1 S4 Tl1
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

   7 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
   3 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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