(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2009). E65, i1 [ doi:10.1107/S1600536808041585 ]
Nb_1.30Cr_0.70S₅: a layered ternary mixed-metal sulfide

H. Yun and G. Kim

Online 13 December 2008
Key indicators

Single-crystal X-ray study
T = 150 K
Mean (S-S) = 0.002 Å
Disorder in main residue
R factor = 0.048
wR factor = 0.079
Data-to-parameter ratio = 20.2
checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   150.000
            Value of melting point given =     0.000
PLAT301_ALERT_3_C Main Residue  Disorder .........................       6.00 Perc.
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    M      S2                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    M      S5                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    M      S5                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    M      S2                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    M      S2                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    M      S1                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    M      M                                                   
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    M      M                                                   
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    S2     M                                                   
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    S5     M                                                   
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    S5     M                                                   
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S2     M      S5                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S2     M      S5                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S5     M      S5                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S2     M      S2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S5     M      S2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S5     M      S2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S2     M      S2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S5     M      S2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S5     M      S2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S2     M      S2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S2     M      S1                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S5     M      S1                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S5     M      S1                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S2     M      S1                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S2     M      S1                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S2     M      M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S5     M      M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S5     M      M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S2     M      M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S2     M      M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S1     M      M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S2     M      M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S5     M      M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S5     M      M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S2     M      M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S2     M      M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    S1     M      M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    M      M      M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    M      S1     NB1                                          
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    M      S1     NB1                                          
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    M      S1     NB1                                          
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    M      S2     M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    M      S2     M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    M      S2     M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    M      S5     M                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    M      S5     NB1                                          
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    M      S5     NB1                                          

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

  51 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
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check
Nb1.30Cr0.70S5: a layered ternary mixed-metal sulfide

H. Yun and G. Kim

Key indicators

checkCIF/PLATON results

Nb_1.30Cr_0.70S₅: a layered ternary mixed-metal sulfide
