The material structure described by Sr2CoMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) 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 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 octahedra are not tilted. 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 octahedra are not tilted. 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, edge, and face-sharing OSr4CoMo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Mo(1), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoMo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF card [CIF]
data_Sr2CoMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.646
_cell_length_b   5.655
_cell_length_c   5.668
_cell_angle_alpha   119.798
_cell_angle_beta   119.845
_cell_angle_gamma   90.053
_symmetry_Int_Tables_number   1
_cell_volume   128.596
_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  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.500  0.500  0.000  1.0
  O  O2  1  0.259  0.259  0.517  1.0
  O  O3  1  0.742  0.257  0.999  1.0
  O  O4  1  0.258  0.743  0.001  1.0
  O  O5  1  0.741  0.741  0.483  1.0
  O  O6  1  0.743  0.744  0.002  1.0
  O  O7  1  0.257  0.256  0.998  1.0
  Sr  Sr8  1  0.250  0.751  0.501  1.0
  Sr  Sr9  1  0.750  0.249  0.499  1.0
[/CIF]
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The material structure described by Sr2CoMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) 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 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 octahedra are not tilted. 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 octahedra are not tilted. 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, edge, and face-sharing OSr4CoMo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Mo(1), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoMo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF card [CIF]
data_Sr2CoMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.646
_cell_length_b   5.655
_cell_length_c   5.668
_cell_angle_alpha   119.798
_cell_angle_beta   119.845
_cell_angle_gamma   90.053
_symmetry_Int_Tables_number   1
_cell_volume   128.596
_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  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.500  0.500  0.000  1.0
  O  O2  1  0.259  0.259  0.517  1.0
  O  O3  1  0.742  0.257  0.999  1.0
  O  O4  1  0.258  0.743  0.001  1.0
  O  O5  1  0.741  0.741  0.483  1.0
  O  O6  1  0.743  0.744  0.002  1.0
  O  O7  1  0.257  0.256  0.998  1.0
  Sr  Sr8  1  0.250  0.751  0.501  1.0
  Sr  Sr9  1  0.750  0.249  0.499  1.0
[/CIF]
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