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. 2019 Dec 27;5(1):104–112. doi: 10.1021/acsomega.9b01604

Table 2. Rietveld Structural Refinement Parameters Obtained for GFO Compounds.

    atomic coordinates
  
Fe concentration atoms X Y Z Uiso
  Ga1 0.09012 0.00000 0.79649 0.00162
  Ga2 0.15885 0.50000 0.30921 0.00471
0.00 O1 0.15308 0.00000 0.10793 0.01013
  O2 0.17102 0.00000 0.56049 0.01013
  O3 –0.0079 0.50000 0.26514 0.01013
  Ga1 0.0899 0.00000 0.7922(8) 1.00000
  Ga2 0.1577(3) 0.50000 0.3103(9) 0.01044
  O1 0.16051 0.00000 0.09246 –0.0828
0.30 O2 0.17149 0.00000 0.56117 –0.0624
  O3 –0.00240 0.50000 0.25687 –0.0553
  Fe1 0.0899(3) 0.00000 0.7922(8) 0.00253
  Fe2 0.1577(3) 0.50000 0.3103(9) 0.00253