The structure described by CaLaFeO6Bi crystallizes in the cubic F-43m space group. The structure consists of four 7440-69-9 atoms inside a CaLaFeO6 framework. In the CaLaFeO6 framework, 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 La(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. La(1) is bonded to six equivalent O(1) atoms to form LaO6 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 La(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 linear geometry to two equivalent Ca(1), one La(1), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaLaFeBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   5.917
_cell_length_c   5.917
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   146.504
_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  0.250  0.250  0.250  1.0
  La  La1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Bi  Bi3  1  0.750  0.750  0.750  1.0
  O  O4  1  0.771  0.229  0.229  1.0
  O  O5  1  0.229  0.771  0.771  1.0
  O  O6  1  0.771  0.229  0.771  1.0
  O  O7  1  0.229  0.771  0.229  1.0
  O  O8  1  0.771  0.771  0.229  1.0
  O  O9  1  0.229  0.229  0.771  1.0
[/CIF]
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The structure described by CaLaFeO6Bi crystallizes in the cubic F-43m space group. The structure consists of four 7440-69-9 atoms inside a CaLaFeO6 framework. In the CaLaFeO6 framework, 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 La(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. La(1) is bonded to six equivalent O(1) atoms to form LaO6 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 La(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 linear geometry to two equivalent Ca(1), one La(1), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaLaFeBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   5.917
_cell_length_c   5.917
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   146.504
_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  0.250  0.250  0.250  1.0
  La  La1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Bi  Bi3  1  0.750  0.750  0.750  1.0
  O  O4  1  0.771  0.229  0.229  1.0
  O  O5  1  0.229  0.771  0.771  1.0
  O  O6  1  0.771  0.229  0.771  1.0
  O  O7  1  0.229  0.771  0.229  1.0
  O  O8  1  0.771  0.771  0.229  1.0
  O  O9  1  0.229  0.229  0.771  1.0
[/CIF]
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