Acta Cryst. (2009). E65, i73  [ doi:10.1107/S1600536809038100 ]

Tripraseodymium pentairon(III) dodecaoxide, Pr₃Fe₅O₁₂: a synchrotron radiation study

T. Komori, T. Sakakura, Y. Takenaka, K. Tanaka and T. Okuda

Online 3 October 2009

Key indicators

• Single-crystal synchrotron study
• T = 298 K
• Mean (Pr-Fe) = 0.000 Å
• R factor = 0.019
• wR factor = 0.021
• Data-to-parameter ratio = 550.1

checkCIF/PLATON results

No syntax errors found



Alert level A
EXPT108_ALERT_1_A  The magnitudes of the crystal dimensions do not
            match the min, mid and max definitions

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           68.32
           From the CIF: _reflns_number_total               1728
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         1872
           Completeness (_total/calc)             92.31%
PLAT951_ALERT_1_C Reported and Calculated Kmax Values Differ by ..          2      

Alert level G
  ABSMU_01  Radiation type not identified. Calculation of
            _exptl_absorpt_correction_mu not performed.
REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values
           From the CIF: _diffrn_reflns_theta_max           68.32
           From the CIF: _reflns_number_total               1728
           From the CIF: _diffrn_reflns_limit_ max hkl   34.   32.   34.
           From the CIF: _diffrn_reflns_limit_ min hkl   -9.   -9.   -9.
           TEST1: Expected hkl limits for theta max
           Calculated maximum hkl   34.   34.   34.
           Calculated minimum hkl  -34.  -34.  -34.
PLAT092_ALERT_4_G Check: Wavelength given is not Cu,Mo or Ag Ka ..       0.67 Ang. 

   1 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 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
   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

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