The material structure described by Ba4MgCo(ReO6)2 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Mg(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Co(1)O6 octahedra, and faces with four equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Ba site, Ba(2) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Re(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra, faces with three equivalent Mg(1)O6 octahedra, and faces with three equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. Mg(1) is bonded to six equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Re(1)O6 octahedra. Re(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ReO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Co(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Re(1)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(2), three equivalent Ba(1), one Re(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one Mg(1), and one Re(1) atom. is represented by the CIF file [CIF]
data_Ba4MgCo(ReO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.853
_cell_length_b   5.852
_cell_length_c   10.264
_cell_angle_alpha   73.401
_cell_angle_beta   73.387
_cell_angle_gamma   60.019
_symmetry_Int_Tables_number   1
_cell_volume   287.469
_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
  Ba  Ba0  1  0.287  0.287  0.141  1.0
  Ba  Ba1  1  0.713  0.713  0.859  1.0
  Ba  Ba2  1  0.130  0.130  0.611  1.0
  Ba  Ba3  1  0.870  0.870  0.389  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.000  0.000  0.000  1.0
  Re  Re6  1  0.409  0.409  0.772  1.0
  Re  Re7  1  0.591  0.591  0.228  1.0
  O  O8  1  0.306  0.785  0.125  1.0
  O  O9  1  0.785  0.785  0.124  1.0
  O  O10  1  0.785  0.306  0.125  1.0
  O  O11  1  0.694  0.215  0.875  1.0
  O  O12  1  0.215  0.215  0.876  1.0
  O  O13  1  0.215  0.694  0.875  1.0
  O  O14  1  0.148  0.605  0.642  1.0
  O  O15  1  0.605  0.605  0.642  1.0
  O  O16  1  0.605  0.148  0.642  1.0
  O  O17  1  0.852  0.395  0.358  1.0
  O  O18  1  0.395  0.395  0.358  1.0
  O  O19  1  0.395  0.852  0.358  1.0
[/CIF]
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The material structure described by Ba4MgCo(ReO6)2 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Mg(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Co(1)O6 octahedra, and faces with four equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Ba site, Ba(2) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Re(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra, faces with three equivalent Mg(1)O6 octahedra, and faces with three equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. Mg(1) is bonded to six equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Re(1)O6 octahedra. Re(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ReO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Co(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Re(1)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(2), three equivalent Ba(1), one Re(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one Mg(1), and one Re(1) atom. is represented by the CIF file [CIF]
data_Ba4MgCo(ReO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.853
_cell_length_b   5.852
_cell_length_c   10.264
_cell_angle_alpha   73.401
_cell_angle_beta   73.387
_cell_angle_gamma   60.019
_symmetry_Int_Tables_number   1
_cell_volume   287.469
_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
  Ba  Ba0  1  0.287  0.287  0.141  1.0
  Ba  Ba1  1  0.713  0.713  0.859  1.0
  Ba  Ba2  1  0.130  0.130  0.611  1.0
  Ba  Ba3  1  0.870  0.870  0.389  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.000  0.000  0.000  1.0
  Re  Re6  1  0.409  0.409  0.772  1.0
  Re  Re7  1  0.591  0.591  0.228  1.0
  O  O8  1  0.306  0.785  0.125  1.0
  O  O9  1  0.785  0.785  0.124  1.0
  O  O10  1  0.785  0.306  0.125  1.0
  O  O11  1  0.694  0.215  0.875  1.0
  O  O12  1  0.215  0.215  0.876  1.0
  O  O13  1  0.215  0.694  0.875  1.0
  O  O14  1  0.148  0.605  0.642  1.0
  O  O15  1  0.605  0.605  0.642  1.0
  O  O16  1  0.605  0.148  0.642  1.0
  O  O17  1  0.852  0.395  0.358  1.0
  O  O18  1  0.395  0.395  0.358  1.0
  O  O19  1  0.395  0.852  0.358  1.0
[/CIF]
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