The crystal structure described by CoSeO4 crystallizes in the orthorhombic Cmcm space group. 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 Se(1)O4 tetrahedra and edges with two equivalent Co(1)O6 octahedra. Se(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SeO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoSeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.894
_cell_length_b   4.894
_cell_length_c   6.525
_cell_angle_alpha   90.007
_cell_angle_beta   90.003
_cell_angle_gamma   112.300
_symmetry_Int_Tables_number   1
_cell_volume   144.585
_cell_formula_units_Z   2
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
  Co  Co1  1  0.000  0.000  0.500  1.0
  Se  Se2  1  0.650  0.350  0.250  1.0
  Se  Se3  1  0.350  0.650  0.750  1.0
  O  O4  1  0.758  0.242  0.463  1.0
  O  O5  1  0.242  0.758  0.537  1.0
  O  O6  1  0.223  0.279  0.750  1.0
  O  O7  1  0.777  0.721  0.250  1.0
  O  O8  1  0.758  0.242  0.037  1.0
  O  O9  1  0.242  0.758  0.963  1.0
  O  O10  1  0.721  0.778  0.750  1.0
  O  O11  1  0.279  0.222  0.250  1.0
[/CIF]
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The crystal structure described by CoSeO4 crystallizes in the orthorhombic Cmcm space group. 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 Se(1)O4 tetrahedra and edges with two equivalent Co(1)O6 octahedra. Se(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SeO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoSeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.894
_cell_length_b   4.894
_cell_length_c   6.525
_cell_angle_alpha   90.007
_cell_angle_beta   90.003
_cell_angle_gamma   112.300
_symmetry_Int_Tables_number   1
_cell_volume   144.585
_cell_formula_units_Z   2
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
  Co  Co1  1  0.000  0.000  0.500  1.0
  Se  Se2  1  0.650  0.350  0.250  1.0
  Se  Se3  1  0.350  0.650  0.750  1.0
  O  O4  1  0.758  0.242  0.463  1.0
  O  O5  1  0.242  0.758  0.537  1.0
  O  O6  1  0.223  0.279  0.750  1.0
  O  O7  1  0.777  0.721  0.250  1.0
  O  O8  1  0.758  0.242  0.037  1.0
  O  O9  1  0.242  0.758  0.963  1.0
  O  O10  1  0.721  0.778  0.750  1.0
  O  O11  1  0.279  0.222  0.250  1.0
[/CIF]
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