Acta Cryst. (2007). E63, i153-i154  [ doi:10.1107/S1600536807027705 ]

K₂(SO₄)_0.63(SeO₄)_0.37·Te(OH)₆

M. Abdelhedi, L. Ktari, M. Dammak, A. Cousson and A. Kolsi

Online 13 June 2007

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (e-O) = 0.007 Å
• Disorder in main residue
• R factor = 0.045
• wR factor = 0.051
• Data-to-parameter ratio = 15.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         O7     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         O8     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       5.00 Perc.
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........         X1     
                    X1     O7                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........         X1     
                    X1     O8                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........         X1     
                    X1     O9                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........         X1     
                    X1     O10                                                 
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........         X1     
                    O7     X1     O8                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........         X1     
                    O7     X1     O9                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........         X1     
                    O8     X1     O9                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........         X1     
                    O7     X1     O10                                          
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........         X1     
                    O8     X1     O10                                          
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........         X1     
                    O9     X1     O10                                          
PLAT755_ALERT_4_C D-H     Calc     0.86000, Rep    0.857(6) ......  Senseless su   
              O1   -H1      1.555   1.555                                      
PLAT755_ALERT_4_C D-H     Calc     0.82000, Rep    0.817(6) ......  Senseless su   
              O2   -H2      1.555   1.555                                      
PLAT755_ALERT_4_C D-H     Calc     0.82000, Rep    0.817(6) ......  Senseless su   
              O3   -H3      1.555   1.555                                      
PLAT755_ALERT_4_C D-H     Calc     0.85000, Rep    0.848(6) ......  Senseless su   
              O4   -H4      1.555   1.555                                      
PLAT755_ALERT_4_C D-H     Calc     0.86000, Rep    0.856(6) ......  Senseless su   
              O5   -H5      1.555   1.555                                      
PLAT755_ALERT_4_C D-H     Calc     0.83000, Rep    0.826(6) ......  Senseless su   
              O6   -H6      1.555   1.555                                      
PLAT756_ALERT_4_C H...A   Calc     1.92000, Rep    1.924(7) ......  Senseless su   
              H1   -O9      1.555   1.545                                      
PLAT756_ALERT_4_C H...A   Calc     1.97000, Rep    1.967(7) ......  Senseless su   
              H2   -O9      1.555   1.555                                      
PLAT756_ALERT_4_C H...A   Calc     1.97000, Rep    1.972(7) ......  Senseless su   
              H3   -O10     1.555   1.655                                      
PLAT756_ALERT_4_C H...A   Calc     1.81000, Rep    1.815(7) ......  Senseless su   
              H4   -O8      1.555   1.645                                      
PLAT756_ALERT_4_C H...A   Calc     1.87000, Rep    1.868(6) ......  Senseless su   
              H5   -O7      1.555   1.655                                      
PLAT756_ALERT_4_C H...A   Calc     1.95000, Rep    1.946(6) ......  Senseless su   
              H6   -O7      1.555   1.545                                      
PLAT758_ALERT_4_C D-H..A  Calc      169.00, Rep    168.7(5) ......  Senseless su   
              O2   -H2   -O9      1.555   1.555   1.555                        
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3      
              O4 S0.63 Se0.37                                                  
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          5      
              K                                                                

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          7      

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

  11 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
  16 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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