The structure described by CoH2SeO5 crystallizes in the monoclinic C2/c space group. 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 two equivalent Co(1)O6 octahedra and corners with four equivalent Se(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. H(1) is bonded in a single-bond geometry to one O(1) atom. Se(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form SeO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to two equivalent Co(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_CoH2SeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.416
_cell_length_b   5.416
_cell_length_c   7.699
_cell_angle_alpha   106.656
_cell_angle_beta   106.656
_cell_angle_gamma   97.847
_symmetry_Int_Tables_number   1
_cell_volume   201.306
_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  0.500  0.500  1.000  1.0
  Co  Co1  1  0.000  0.000  0.500  1.0
  H  H2  1  0.968  0.370  0.798  1.0
  H  H3  1  0.130  0.532  0.702  1.0
  H  H4  1  0.032  0.630  0.202  1.0
  H  H5  1  0.870  0.468  0.298  1.0
  O  O6  1  0.879  0.621  0.250  1.0
  O  O7  1  0.121  0.379  0.750  1.0
  O  O8  1  0.282  0.187  0.421  1.0
  O  O9  1  0.313  0.218  0.079  1.0
  O  O10  1  0.718  0.813  0.579  1.0
  O  O11  1  0.687  0.782  0.921  1.0
  O  O12  1  0.314  0.751  0.150  1.0
  O  O13  1  0.749  0.186  0.350  1.0
  O  O14  1  0.686  0.249  0.850  1.0
  O  O15  1  0.251  0.814  0.650  1.0
  Se  Se16  1  0.415  0.085  0.250  1.0
  Se  Se17  1  0.585  0.915  0.750  1.0
[/CIF]
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The structure described by CoH2SeO5 crystallizes in the monoclinic C2/c space group. 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 two equivalent Co(1)O6 octahedra and corners with four equivalent Se(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. H(1) is bonded in a single-bond geometry to one O(1) atom. Se(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form SeO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to two equivalent Co(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_CoH2SeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.416
_cell_length_b   5.416
_cell_length_c   7.699
_cell_angle_alpha   106.656
_cell_angle_beta   106.656
_cell_angle_gamma   97.847
_symmetry_Int_Tables_number   1
_cell_volume   201.306
_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  0.500  0.500  1.000  1.0
  Co  Co1  1  0.000  0.000  0.500  1.0
  H  H2  1  0.968  0.370  0.798  1.0
  H  H3  1  0.130  0.532  0.702  1.0
  H  H4  1  0.032  0.630  0.202  1.0
  H  H5  1  0.870  0.468  0.298  1.0
  O  O6  1  0.879  0.621  0.250  1.0
  O  O7  1  0.121  0.379  0.750  1.0
  O  O8  1  0.282  0.187  0.421  1.0
  O  O9  1  0.313  0.218  0.079  1.0
  O  O10  1  0.718  0.813  0.579  1.0
  O  O11  1  0.687  0.782  0.921  1.0
  O  O12  1  0.314  0.751  0.150  1.0
  O  O13  1  0.749  0.186  0.350  1.0
  O  O14  1  0.686  0.249  0.850  1.0
  O  O15  1  0.251  0.814  0.650  1.0
  Se  Se16  1  0.415  0.085  0.250  1.0
  Se  Se17  1  0.585  0.915  0.750  1.0
[/CIF]
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