The material described by Sr2CoReO6 crystallizes in the tetragonal P4_2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Re(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Re(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Re(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ReO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Re(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Re(1), and one Co(1) atom to form a mixture of distorted edge and corner-sharing OSr4CoRe octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Re(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Re(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_Sr2CoReO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.626
_cell_length_b   5.633
_cell_length_c   5.655
_cell_angle_alpha   60.136
_cell_angle_beta   60.179
_cell_angle_gamma   90.014
_symmetry_Int_Tables_number   1
_cell_volume   127.318
_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
  Co  Co0  1  1.000  1.000  0.000  1.0
  O  O1  1  0.257  0.256  0.487  1.0
  O  O2  1  0.743  0.744  0.513  1.0
  O  O3  1  0.304  0.780  0.000  1.0
  O  O4  1  0.781  0.696  0.000  1.0
  O  O5  1  0.219  0.304  1.000  1.0
  O  O6  1  0.696  0.220  1.000  1.0
  Re  Re7  1  0.500  0.500  1.000  1.0
  Sr  Sr8  1  0.250  0.750  0.500  1.0
  Sr  Sr9  1  0.750  0.250  0.500  1.0
[/CIF]
.
The material described by Sr2CoReO6 crystallizes in the tetragonal P4_2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Re(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Re(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Re(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ReO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Re(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Re(1), and one Co(1) atom to form a mixture of distorted edge and corner-sharing OSr4CoRe octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Re(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Re(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_Sr2CoReO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.626
_cell_length_b   5.633
_cell_length_c   5.655
_cell_angle_alpha   60.136
_cell_angle_beta   60.179
_cell_angle_gamma   90.014
_symmetry_Int_Tables_number   1
_cell_volume   127.318
_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
  Co  Co0  1  1.000  1.000  0.000  1.0
  O  O1  1  0.257  0.256  0.487  1.0
  O  O2  1  0.743  0.744  0.513  1.0
  O  O3  1  0.304  0.780  0.000  1.0
  O  O4  1  0.781  0.696  0.000  1.0
  O  O5  1  0.219  0.304  1.000  1.0
  O  O6  1  0.696  0.220  1.000  1.0
  Re  Re7  1  0.500  0.500  1.000  1.0
  Sr  Sr8  1  0.250  0.750  0.500  1.0
  Sr  Sr9  1  0.750  0.250  0.500  1.0
[/CIF]
.