The material described by Sr4Co3ReO12 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Re(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. Re(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form ReO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Co(3)O6 octahedra, corners with four equivalent Re(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Co site, Co(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Re(1), and one Co(2) atom. In the third O site, O(3) is bonded to four equivalent Sr(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Co2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(1), one Re(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4Co3ReO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.585
_cell_length_b   5.585
_cell_length_c   7.883
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.855
_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
  Sr  Sr0  1  0.500  0.000  0.724  1.0
  Sr  Sr1  1  0.000  0.500  0.276  1.0
  Sr  Sr2  1  0.500  0.000  0.276  1.0
  Sr  Sr3  1  0.000  0.500  0.724  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  Co  Co6  1  0.000  0.000  0.500  1.0
  Re  Re7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.000  0.000  0.764  1.0
  O  O9  1  0.500  0.500  0.240  1.0
  O  O10  1  0.754  0.754  0.500  1.0
  O  O11  1  0.261  0.261  0.000  1.0
  O  O12  1  0.754  0.246  0.500  1.0
  O  O13  1  0.261  0.739  0.000  1.0
  O  O14  1  0.000  0.000  0.236  1.0
  O  O15  1  0.500  0.500  0.760  1.0
  O  O16  1  0.246  0.246  0.500  1.0
  O  O17  1  0.739  0.739  0.000  1.0
  O  O18  1  0.246  0.754  0.500  1.0
  O  O19  1  0.739  0.261  0.000  1.0
[/CIF]
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The material described by Sr4Co3ReO12 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Re(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. Re(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form ReO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Co(3)O6 octahedra, corners with four equivalent Re(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Co site, Co(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Re(1), and one Co(2) atom. In the third O site, O(3) is bonded to four equivalent Sr(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Co2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(1), one Re(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4Co3ReO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.585
_cell_length_b   5.585
_cell_length_c   7.883
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.855
_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
  Sr  Sr0  1  0.500  0.000  0.724  1.0
  Sr  Sr1  1  0.000  0.500  0.276  1.0
  Sr  Sr2  1  0.500  0.000  0.276  1.0
  Sr  Sr3  1  0.000  0.500  0.724  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  Co  Co6  1  0.000  0.000  0.500  1.0
  Re  Re7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.000  0.000  0.764  1.0
  O  O9  1  0.500  0.500  0.240  1.0
  O  O10  1  0.754  0.754  0.500  1.0
  O  O11  1  0.261  0.261  0.000  1.0
  O  O12  1  0.754  0.246  0.500  1.0
  O  O13  1  0.261  0.739  0.000  1.0
  O  O14  1  0.000  0.000  0.236  1.0
  O  O15  1  0.500  0.500  0.760  1.0
  O  O16  1  0.246  0.246  0.500  1.0
  O  O17  1  0.739  0.739  0.000  1.0
  O  O18  1  0.246  0.754  0.500  1.0
  O  O19  1  0.739  0.261  0.000  1.0
[/CIF]
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