Acta Cryst. (2008). E64, i71  [ doi:10.1107/S1600536808030572 ]

R-Ferrite-type barium cobalt stannate, BaCo₂Sn₄O₁₁

H. Yamane, T. Ono and T. Yamada

Online 27 September 2008

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (Co-O) = 0.004 Å
• Disorder in main residue
• R factor = 0.018
• wR factor = 0.041
• Data-to-parameter ratio = 8.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT088_ALERT_3_C Poor Data / Parameter Ratio ....................       8.21      
PLAT301_ALERT_3_C Main Residue  Disorder .........................      12.00 Perc.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT732_ALERT_1_C Angle   Calc    56.59(7), Rep    56.59(3) ......       2.33 su-Ra
              O1   -SN2  -O3      1.555   1.555   1.555                        
PLAT732_ALERT_1_C Angle   Calc   92.89(13), Rep    92.88(5) ......       2.60 su-Ra
              SN2  -O2   -BA1     1.555   1.555   1.555                        
PLAT779_ALERT_4_C Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              CO1  -O1   -SN1     4.665   1.555   4.665                        
PLAT779_ALERT_4_C Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              CO1  -O1   -SN1     3.555   1.555   3.555                        
PLAT779_ALERT_4_C Suspect or Irrelevant (Bond) Angle in CIF ......      42.59 Deg. 
              CO1  -O1   -O3      4.665   1.555   1.555                        
PLAT779_ALERT_4_C Suspect or Irrelevant (Bond) Angle in CIF ......      42.59 Deg. 
              SN1  -O1   -O3      4.665   1.555   1.555                        
PLAT779_ALERT_4_C Suspect or Irrelevant (Bond) Angle in CIF ......      42.59 Deg. 
              CO1  -O1   -O3      3.555   1.555   1.455                        
PLAT779_ALERT_4_C Suspect or Irrelevant (Bond) Angle in CIF ......      42.59 Deg. 
              SN1  -O1   -O3      3.555   1.555   1.455                        
PLAT779_ALERT_4_C Suspect or Irrelevant (Bond) Angle in CIF ......      39.11 Deg. 
              O3   -O1   -CO2     1.555   1.555   1.555                        
PLAT779_ALERT_4_C Suspect or Irrelevant (Bond) Angle in CIF ......      39.11 Deg. 
              O3   -O1   -CO2     1.455   1.555   1.455                        
PLAT779_ALERT_4_C Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              CO1  -O3   -SN1     3.655   1.555   3.655                        
PLAT779_ALERT_4_C Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              CO1  -O3   -SN1     4.665   1.555   4.665                        

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          1      
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
  16 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   6 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
  10 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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