Acta Cryst. (2008). E64, i72  [ doi:10.1107/S1600536808030754 ]

Redetermination of the perovskite-type compound YRh₃B revealing a Rh deficiency

R. Makita, K. Tanizawa, K. Tanaka and H. Takei

Online 27 September 2008

Key indicators

• Single-crystal X-ray study
• T = 109 K
• Mean () = 0.000 Å
• Disorder in main residue
• R factor = 0.014
• wR factor = 0.029
• Data-to-parameter ratio = 86.1

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT065_ALERT_3_A Crystal Requires Numerical Correction mu*tmid ..       3.93      

Alert level B
PLAT301_ALERT_3_B Main Residue  Disorder .........................      42.00 Perc.
PLAT061_ALERT_4_B Tmax/Tmin Range Test RR' too Large .............       0.57      

Alert level C
PLAT021_ALERT_1_C Ratio Unique / Expected Reflections too High ...       1.02      
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.12      
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?

Alert level G
REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values
           From the CIF: _diffrn_reflns_theta_max           74.89
           From the CIF: _reflns_number_total                193
           From the CIF: _diffrn_reflns_limit_ max hkl    9.   11.   11.
           From the CIF: _diffrn_reflns_limit_ min hkl   -7.  -11.  -11.
           TEST1: Expected hkl limits for theta max
           Calculated maximum hkl   11.   11.   11.
           Calculated minimum hkl  -11.  -11.  -11.
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          3      

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

   3 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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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