The material structure described by MgReO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Mg(1) is bonded to twelve equivalent O(1) atoms to form MgO12 cuboctahedra that share corners with twelve equivalent Mg(1)O12 cuboctahedra, faces with six equivalent Mg(1)O12 cuboctahedra, and faces with eight equivalent Re(1)O6 octahedra. Re(1) is bonded to six equivalent O(1) atoms to form ReO6 octahedra that share corners with six equivalent Re(1)O6 octahedra and faces with eight equivalent Mg(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a linear geometry to four equivalent Mg(1) and two equivalent Re(1) atoms. is represented by the CIF file [CIF]
data_MgReO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.923
_cell_length_b   3.923
_cell_length_c   3.923
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   60.355
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Re  Re1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by MgReO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Mg(1) is bonded to twelve equivalent O(1) atoms to form MgO12 cuboctahedra that share corners with twelve equivalent Mg(1)O12 cuboctahedra, faces with six equivalent Mg(1)O12 cuboctahedra, and faces with eight equivalent Re(1)O6 octahedra. Re(1) is bonded to six equivalent O(1) atoms to form ReO6 octahedra that share corners with six equivalent Re(1)O6 octahedra and faces with eight equivalent Mg(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a linear geometry to four equivalent Mg(1) and two equivalent Re(1) atoms. is represented by the CIF file [CIF]
data_MgReO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.923
_cell_length_b   3.923
_cell_length_c   3.923
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   60.355
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Re  Re1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.000  0.500  0.500  1.0
[/CIF]
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