Acta Cryst. (2007). E63, i161  [ doi:10.1107/S1600536807028899 ]

The Heusler-type alloy MgZn₂Ce

V. Pavlyuk, P. Solokha, G. Dmytriv, B. Marciniak and V. Paul-Boncour

Online 20 June 2007

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (e-Zn) = 0.000 Å
• R factor = 0.016
• wR factor = 0.045
• Data-to-parameter ratio = 11.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1      
              Ce2 Zn4                                                          

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           32.96
           From the CIF: _reflns_number_total                 55
           Count of symmetry unique reflns            1
           Completeness (_total/calc)           5500.00%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured        54
           Fraction of Friedel pairs measured    54.000
           Are heavy atom types Z>Si present        yes

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

   2 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
   0 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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