Acta Cryst. (2009). E65, i59  [ doi:10.1107/S1600536809026415 ]

The lanthanum(III) molybdate(VI) La₄Mo₇O₂₇

B. van der Wolf, P. Held and P. Becker

Online 11 July 2009

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (La-O) = 0.006 Å
• R factor = 0.028
• wR factor = 0.076
• Data-to-parameter ratio = 20.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF:   LA1    --  LA4     ..       4.08 Ang. 
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF:   LA1    --  LA4     ..       4.18 Ang. 
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF:   LA2    --  LA3     ..       4.03 Ang. 
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF:   LA2    --  LA3     ..       4.18 Ang. 
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF:   LA3    --  LA2     ..       4.03 Ang. 
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF:   LA4    --  LA1     ..       4.08 Ang. 

Alert level C
PLAT213_ALERT_2_C Atom O12     has ADP max/min Ratio .............       3.20 prola
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La1    --  O43     ..       6.46 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La2    --  O63     ..       6.34 su   
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   LA3    --  MO3     ..       3.51 Ang. 
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   LA4    --  MO1     ..       3.60 Ang. 

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.095
            Tmax scaled      0.095 Tmin scaled      0.080
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           30.44
           From the CIF: _reflns_number_total               7202
           Count of symmetry unique reflns         3689
           Completeness (_total/calc)            195.23%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      3513
           Fraction of Friedel pairs measured     0.952
           Are heavy atom types Z>Si present        yes
PLAT033_ALERT_4_G Flack x Parameter Value Deviates from Zero .....       0.04      
PLAT062_ALERT_4_G Rescale T(min) & T(max) by .....................       0.09      

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

   8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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