The structure described by CaWFeO6 crystallizes in the cubic F-43m space group. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Ca(1)O12 cuboctahedra, faces with four equivalent W(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with four equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with four equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted square co-planar geometry to two equivalent Ca(1), one W(1), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaFeWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.539
_cell_length_b   5.539
_cell_length_c   5.539
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   120.149
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.250  0.250  0.250  1.0
  W  W2  1  0.750  0.750  0.750  1.0
  O  O3  1  0.504  0.996  0.504  1.0
  O  O4  1  0.996  0.996  0.504  1.0
  O  O5  1  0.504  0.504  0.996  1.0
  O  O6  1  0.504  0.996  0.996  1.0
  O  O7  1  0.996  0.504  0.996  1.0
  O  O8  1  0.996  0.504  0.504  1.0
[/CIF]
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The structure described by CaWFeO6 crystallizes in the cubic F-43m space group. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Ca(1)O12 cuboctahedra, faces with four equivalent W(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with four equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with four equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted square co-planar geometry to two equivalent Ca(1), one W(1), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaFeWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.539
_cell_length_b   5.539
_cell_length_c   5.539
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   120.149
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.250  0.250  0.250  1.0
  W  W2  1  0.750  0.750  0.750  1.0
  O  O3  1  0.504  0.996  0.504  1.0
  O  O4  1  0.996  0.996  0.504  1.0
  O  O5  1  0.504  0.504  0.996  1.0
  O  O6  1  0.504  0.996  0.996  1.0
  O  O7  1  0.996  0.504  0.996  1.0
  O  O8  1  0.996  0.504  0.504  1.0
[/CIF]
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