The compound described by CdSeO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form distorted corner-sharing CdO6 pentagonal pyramids. In the second Cd site, Cd(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing CdO6 pentagonal pyramids. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(5) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one Se(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cd(1), one Cd(2), and one Se(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cd(2) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one Se(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one Se(2) atom. is represented by the CIF card [CIF]
data_CdSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.934
_cell_length_b   5.760
_cell_length_c   8.662
_cell_angle_alpha   78.552
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   632.486
_cell_formula_units_Z   8
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
  Cd  Cd0  1  0.755  0.622  0.851  1.0
  Cd  Cd1  1  0.577  0.184  0.111  1.0
  Cd  Cd2  1  0.255  0.378  0.649  1.0
  Cd  Cd3  1  0.077  0.816  0.389  1.0
  Cd  Cd4  1  0.245  0.378  0.149  1.0
  Cd  Cd5  1  0.923  0.184  0.611  1.0
  Cd  Cd6  1  0.745  0.622  0.351  1.0
  Cd  Cd7  1  0.423  0.816  0.889  1.0
  Se  Se8  1  0.975  0.417  0.232  1.0
  Se  Se9  1  0.332  0.972  0.481  1.0
  Se  Se10  1  0.525  0.417  0.732  1.0
  Se  Se11  1  0.832  0.028  0.019  1.0
  Se  Se12  1  0.168  0.972  0.981  1.0
  Se  Se13  1  0.475  0.583  0.268  1.0
  Se  Se14  1  0.025  0.583  0.768  1.0
  Se  Se15  1  0.668  0.028  0.519  1.0
  O  O16  1  0.350  0.032  0.664  1.0
  O  O17  1  0.237  0.759  0.505  1.0
  O  O18  1  0.981  0.159  0.367  1.0
  O  O19  1  0.850  0.968  0.836  1.0
  O  O20  1  0.519  0.159  0.867  1.0
  O  O21  1  0.405  0.538  0.725  1.0
  O  O22  1  0.019  0.841  0.633  1.0
  O  O23  1  0.578  0.598  0.848  1.0
  O  O24  1  0.481  0.841  0.133  1.0
  O  O25  1  0.762  0.774  0.086  1.0
  O  O26  1  0.738  0.774  0.586  1.0
  O  O27  1  0.737  0.241  0.995  1.0
  O  O28  1  0.763  0.241  0.495  1.0
  O  O29  1  0.922  0.598  0.348  1.0
  O  O30  1  0.595  0.462  0.275  1.0
  O  O31  1  0.095  0.538  0.225  1.0
  O  O32  1  0.905  0.462  0.775  1.0
  O  O33  1  0.422  0.402  0.152  1.0
  O  O34  1  0.238  0.226  0.914  1.0
  O  O35  1  0.263  0.759  0.005  1.0
  O  O36  1  0.150  0.032  0.164  1.0
  O  O37  1  0.650  0.968  0.336  1.0
  O  O38  1  0.262  0.226  0.414  1.0
  O  O39  1  0.078  0.402  0.652  1.0
[/CIF]
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The compound described by CdSeO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form distorted corner-sharing CdO6 pentagonal pyramids. In the second Cd site, Cd(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing CdO6 pentagonal pyramids. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(5) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one Se(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cd(1), one Cd(2), and one Se(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cd(2) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one Se(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one Se(2) atom. is represented by the CIF card [CIF]
data_CdSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.934
_cell_length_b   5.760
_cell_length_c   8.662
_cell_angle_alpha   78.552
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   632.486
_cell_formula_units_Z   8
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
  Cd  Cd0  1  0.755  0.622  0.851  1.0
  Cd  Cd1  1  0.577  0.184  0.111  1.0
  Cd  Cd2  1  0.255  0.378  0.649  1.0
  Cd  Cd3  1  0.077  0.816  0.389  1.0
  Cd  Cd4  1  0.245  0.378  0.149  1.0
  Cd  Cd5  1  0.923  0.184  0.611  1.0
  Cd  Cd6  1  0.745  0.622  0.351  1.0
  Cd  Cd7  1  0.423  0.816  0.889  1.0
  Se  Se8  1  0.975  0.417  0.232  1.0
  Se  Se9  1  0.332  0.972  0.481  1.0
  Se  Se10  1  0.525  0.417  0.732  1.0
  Se  Se11  1  0.832  0.028  0.019  1.0
  Se  Se12  1  0.168  0.972  0.981  1.0
  Se  Se13  1  0.475  0.583  0.268  1.0
  Se  Se14  1  0.025  0.583  0.768  1.0
  Se  Se15  1  0.668  0.028  0.519  1.0
  O  O16  1  0.350  0.032  0.664  1.0
  O  O17  1  0.237  0.759  0.505  1.0
  O  O18  1  0.981  0.159  0.367  1.0
  O  O19  1  0.850  0.968  0.836  1.0
  O  O20  1  0.519  0.159  0.867  1.0
  O  O21  1  0.405  0.538  0.725  1.0
  O  O22  1  0.019  0.841  0.633  1.0
  O  O23  1  0.578  0.598  0.848  1.0
  O  O24  1  0.481  0.841  0.133  1.0
  O  O25  1  0.762  0.774  0.086  1.0
  O  O26  1  0.738  0.774  0.586  1.0
  O  O27  1  0.737  0.241  0.995  1.0
  O  O28  1  0.763  0.241  0.495  1.0
  O  O29  1  0.922  0.598  0.348  1.0
  O  O30  1  0.595  0.462  0.275  1.0
  O  O31  1  0.095  0.538  0.225  1.0
  O  O32  1  0.905  0.462  0.775  1.0
  O  O33  1  0.422  0.402  0.152  1.0
  O  O34  1  0.238  0.226  0.914  1.0
  O  O35  1  0.263  0.759  0.005  1.0
  O  O36  1  0.150  0.032  0.164  1.0
  O  O37  1  0.650  0.968  0.336  1.0
  O  O38  1  0.262  0.226  0.414  1.0
  O  O39  1  0.078  0.402  0.652  1.0
[/CIF]
.