Acta Cryst. (2005). E61, i1-i2  [ doi:10.1107/S1600536804031253 ]

Lanthanum iron trigermanide, LaFeGe₃

A. V. Tkachuk and A. Mar

Online 4 December 2004

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (Ge-Fe) = 0.002 Å
• R factor = 0.031
• wR factor = 0.075
• Data-to-parameter ratio = 16.5

checkCIF/PLATON results

No syntax errors found




Alert level C
STRVA01_ALERT_4_C           Flack test results are ambiguous.
           From the CIF: _refine_ls_abs_structure_Flack    0.580
           From the CIF: _refine_ls_abs_structure_Flack_su    0.060
PLAT033_ALERT_2_C Flack Parameter Value Deviates from Zero .......       0.58       

Alert level G
ABSTM02_ALERT_3_G  The ratio of expected to reported Tmax/Tmin(RR) is > 2.00
            Tmin and Tmax reported:      0.084     0.650
            Tmin and Tmax expected:      0.037     0.684
            RR =      2.385
            Please check that your absorption correction is appropriate.
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           32.90
           From the CIF: _reflns_number_total                248
           Count of symmetry unique reflns          131
           Completeness (_total/calc)            189.31%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       117
           Fraction of Friedel pairs measured     0.893
           Are heavy atom types Z>Si present          yes

   0 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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   2 ALERT type 4 Improvement, methodology, query or suggestion

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