Acta Cryst. (2006). E62, i86-i87  [ doi:10.1107/S1600536806007409 ]

Uranium trisulfide, US₃

J. Kwak, D. L. Gray, H. Yun and J. A. Ibers

Online 8 March 2006

Key indicators

• Single-crystal X-ray study
• T = 153 K
• Mean (S-S) = 0.004 Å
• R factor = 0.031
• wR factor = 0.085
• Data-to-parameter ratio = 20.8

checkCIF/PLATON results

No syntax errors found




Alert level C
DIFMX01_ALERT_2_C  The maximum difference density is > 0.1*ZMAX*0.75
            _refine_diff_density_max given =      7.920
            Test value =      6.900
DIFMX02_ALERT_1_C  The maximum difference density is > 0.1*ZMAX*0.75
            The relevant atom site should be identified.
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.78       
PLAT097_ALERT_2_C Maximum (Positive) Residual Density ............       7.92 e/A   3

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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