Acta Cryst. (2009). E65, i8  [ doi:10.1107/S1600536809001433 ]

Redetermination of EuScO₃

V. Kahlenberg, D. Maier and B. Velickov

Online 17 January 2009

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (Sc-O) = 0.002 Å
• Disorder in main residue
• R factor = 0.021
• wR factor = 0.051
• Data-to-parameter ratio = 11.7

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT301_ALERT_3_A Main Residue  Disorder .........................      53.00 Perc.

Alert level C
            Value of measurement temperature given =   293.000
            Value of melting point given =     0.000
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.25 Ratio
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?

Alert level G
ABSTM02_ALERT_3_G  The ratio of expected to reported Tmax/Tmin(RR) is > 2.00
            Tmin and Tmax reported:      0.139     0.397
            Tmin and Tmax expected:      0.037     0.591
            RR =      5.646
            Please check that your absorption correction is appropriate.
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    

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

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

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