The structure described by Sr2CoMoO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Mo(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Mo(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Mo(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OSr4CoMo octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Sr(1), one Mo(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2CoMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   5.564
_cell_length_c   5.560
_cell_angle_alpha   119.977
_cell_angle_beta   90.000
_cell_angle_gamma   119.977
_symmetry_Int_Tables_number   1
_cell_volume   121.736
_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  0.750  0.500  0.250  1.0
  Sr  Sr1  1  0.250  0.500  0.750  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Mo  Mo3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.252  0.504  0.252  1.0
  O  O5  1  0.216  0.000  0.713  1.0
  O  O6  1  0.713  0.000  0.784  1.0
  O  O7  1  0.287  0.000  0.216  1.0
  O  O8  1  0.748  0.495  0.748  1.0
  O  O9  1  0.784  0.000  0.287  1.0
[/CIF]
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The structure described by Sr2CoMoO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Mo(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Mo(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Mo(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OSr4CoMo octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Sr(1), one Mo(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2CoMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   5.564
_cell_length_c   5.560
_cell_angle_alpha   119.977
_cell_angle_beta   90.000
_cell_angle_gamma   119.977
_symmetry_Int_Tables_number   1
_cell_volume   121.736
_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  0.750  0.500  0.250  1.0
  Sr  Sr1  1  0.250  0.500  0.750  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Mo  Mo3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.252  0.504  0.252  1.0
  O  O5  1  0.216  0.000  0.713  1.0
  O  O6  1  0.713  0.000  0.784  1.0
  O  O7  1  0.287  0.000  0.216  1.0
  O  O8  1  0.748  0.495  0.748  1.0
  O  O9  1  0.784  0.000  0.287  1.0
[/CIF]
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