Acta Cryst. (2003). E59, i55-i58  [ doi:10.1107/S1600536803004872 ]

Li₃Sc(MoO₄)₃: substitutional disorder on three (Li,Sc) sites

U. Kolitsch and E. Tillmanns

Online 21 March 2003

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (Mo-O) = 0.002 Å
• R factor = 0.023
• wR factor = 0.058
• Data-to-parameter ratio = 14.9

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



CELLZ_01                                                                        
         From the CIF: _cell_formula_units_Z    4                               
         From the CIF: _chemical_formula_sum  Li3 Mo3 O12 Sc1                   
         TEST: Compare cell contents of formula and atom_site data              
                                                                                
         atom    Z*formula  cif sites diff                                      
         Li        12.00     12.03   -0.03                                      
         Mo        12.00     12.00    0.00                                      
         O         48.00     48.00    0.00                                      
         Sc         4.00      3.97    0.03                                      
          Difference between formula and atom_site contents detected.           
          ALERT: check formula stoichiometry or atom site occupancies.          

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