Acta Cryst. (2007). E63, i202  [ doi:10.1107/S1600536807060011 ]

Ga₂(TeO₃)₃(H₂O)₃

M. Weil and B. Stöger

Online 28 November 2007

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (Ga-O) = 0.003 Å
• R factor = 0.020
• wR factor = 0.040
• Data-to-parameter ratio = 25.7

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    0.542
           From the CIF: _refine_ls_abs_structure_Flack_su    0.016
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1     ..  O2      ..       2.62 Ang. 

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           34.96
           From the CIF: _reflns_number_total               1569
           Count of symmetry unique reflns          789
           Completeness (_total/calc)            198.86%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       780
           Fraction of Friedel pairs measured     0.989
           Are heavy atom types Z>Si present        yes
PLAT033_ALERT_2_G Flack Parameter Value Deviates from zero .......       0.54      
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          4      

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

   1 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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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