The material described by CoSe2O5 crystallizes in the orthorhombic Pbcn space group. Co(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. Se(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Se(1) atoms. 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. 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 card [CIF]
data_CoSe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.033
_cell_length_b   6.855
_cell_length_c   10.327
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   89.992
_symmetry_Int_Tables_number   1
_cell_volume   427.017
_cell_formula_units_Z   4
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  0.750  1.000  0.062  1.0
  Co  Co1  1  0.250  0.500  0.437  1.0
  Co  Co2  1  0.250  1.000  0.938  1.0
  Co  Co3  1  0.750  0.500  0.563  1.0
  Se  Se4  1  0.468  0.633  0.154  1.0
  Se  Se5  1  0.968  0.867  0.346  1.0
  Se  Se6  1  0.532  0.133  0.346  1.0
  Se  Se7  1  0.032  0.367  0.154  1.0
  Se  Se8  1  0.968  0.633  0.846  1.0
  Se  Se9  1  0.468  0.867  0.654  1.0
  Se  Se10  1  0.032  0.133  0.654  1.0
  Se  Se11  1  0.532  0.367  0.846  1.0
  O  O12  1  0.750  1.000  0.434  1.0
  O  O13  1  0.250  0.500  0.066  1.0
  O  O14  1  0.250  1.000  0.566  1.0
  O  O15  1  0.750  0.500  0.934  1.0
  O  O16  1  0.051  0.157  0.066  1.0
  O  O17  1  0.551  0.343  0.434  1.0
  O  O18  1  0.949  0.657  0.434  1.0
  O  O19  1  0.449  0.843  0.066  1.0
  O  O20  1  0.949  0.843  0.933  1.0
  O  O21  1  0.449  0.657  0.566  1.0
  O  O22  1  0.051  0.343  0.566  1.0
  O  O23  1  0.551  0.157  0.933  1.0
  O  O24  1  0.667  0.193  0.209  1.0
  O  O25  1  0.167  0.306  0.291  1.0
  O  O26  1  0.333  0.694  0.291  1.0
  O  O27  1  0.833  0.807  0.209  1.0
  O  O28  1  0.333  0.806  0.791  1.0
  O  O29  1  0.833  0.694  0.709  1.0
  O  O30  1  0.667  0.306  0.709  1.0
  O  O31  1  0.167  0.194  0.791  1.0
[/CIF]
.
The material described by CoSe2O5 crystallizes in the orthorhombic Pbcn space group. Co(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. Se(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Se(1) atoms. 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. 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 card [CIF]
data_CoSe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.033
_cell_length_b   6.855
_cell_length_c   10.327
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   89.992
_symmetry_Int_Tables_number   1
_cell_volume   427.017
_cell_formula_units_Z   4
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  0.750  1.000  0.062  1.0
  Co  Co1  1  0.250  0.500  0.437  1.0
  Co  Co2  1  0.250  1.000  0.938  1.0
  Co  Co3  1  0.750  0.500  0.563  1.0
  Se  Se4  1  0.468  0.633  0.154  1.0
  Se  Se5  1  0.968  0.867  0.346  1.0
  Se  Se6  1  0.532  0.133  0.346  1.0
  Se  Se7  1  0.032  0.367  0.154  1.0
  Se  Se8  1  0.968  0.633  0.846  1.0
  Se  Se9  1  0.468  0.867  0.654  1.0
  Se  Se10  1  0.032  0.133  0.654  1.0
  Se  Se11  1  0.532  0.367  0.846  1.0
  O  O12  1  0.750  1.000  0.434  1.0
  O  O13  1  0.250  0.500  0.066  1.0
  O  O14  1  0.250  1.000  0.566  1.0
  O  O15  1  0.750  0.500  0.934  1.0
  O  O16  1  0.051  0.157  0.066  1.0
  O  O17  1  0.551  0.343  0.434  1.0
  O  O18  1  0.949  0.657  0.434  1.0
  O  O19  1  0.449  0.843  0.066  1.0
  O  O20  1  0.949  0.843  0.933  1.0
  O  O21  1  0.449  0.657  0.566  1.0
  O  O22  1  0.051  0.343  0.566  1.0
  O  O23  1  0.551  0.157  0.933  1.0
  O  O24  1  0.667  0.193  0.209  1.0
  O  O25  1  0.167  0.306  0.291  1.0
  O  O26  1  0.333  0.694  0.291  1.0
  O  O27  1  0.833  0.807  0.209  1.0
  O  O28  1  0.333  0.806  0.791  1.0
  O  O29  1  0.833  0.694  0.709  1.0
  O  O30  1  0.667  0.306  0.709  1.0
  O  O31  1  0.167  0.194  0.791  1.0
[/CIF]
.