Acta Cryst. (2006). E62, i106-i108  [ doi:10.1107/S1600536806011159 ]

Copper deficiency in UCu_5-xSn [x = 0.37 (1)]

S. Bobev, E. D. Bauer and J. L. Sarrao

Online 31 March 2006

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean (n-Cu) = 0.003 Å
• Disorder in main residue
• R factor = 0.029
• wR factor = 0.079
• Data-to-parameter ratio = 10.6

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT301_ALERT_3_B Main Residue  Disorder .........................      39.00 Perc. 

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 
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      24.00 Perc. 
PLAT701_ALERT_1_C Bond    Calc   2.8787(3), Rep 2.87836(17), Dev..       1.13 Sigma 
              U1   -CU3     1.555  13.666                                       
PLAT701_ALERT_1_C Bond    Calc   2.8787(3), Rep 2.87836(17), Dev..       1.13 Sigma 
              CU3  -U1      1.555  13.666                                       

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   8 ALERT level C = Check and explain
   0 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
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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