Acta Cryst. (2007). E63, i119-i121  [ doi:10.1107/S1600536807014651 ]

The metallic compound Sr_0.44La_0.56Mo₅O₈

P. Gougeon, P. Gall and W. H. McCarroll

Online 13 April 2007

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (o-O) = 0.003 Å
• Disorder in main residue
• R factor = 0.035
• wR factor = 0.076
• Data-to-parameter ratio = 25.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.25 Ratio
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.87      
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT153_ALERT_1_C The su's on the Cell Axes are Equal (x 100000) .         20 Ang. 
PLAT301_ALERT_3_C Main Residue  Disorder .........................       4.00 Perc.
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      LA/SR     
                    LA/SR  O1                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      LA/SR     
                    LA/SR  O1                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      LA/SR     
                    LA/SR  O4                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      LA/SR     
                    LA/SR  O7                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      LA/SR     
                    LA/SR  O5                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      LA/SR     
                    LA/SR  O8                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      LA/SR     
                    LA/SR  O2                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      LA/SR     
                    LA/SR  O3                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      LA/SR     
                    LA/SR  O6                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      LA/SR     
                    LA/SR  O2                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........      LA/SR     
                    LA/SR  O3                                                  

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.870
            Tmax scaled      0.588 Tmin scaled      0.475
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
  19 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

  18 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
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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