The structure described by CaSeO4 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(4), and three equivalent O(2) atoms. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one Se(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Ca(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_CaSeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.765
_cell_length_b   8.348
_cell_length_c   6.467
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.189
_symmetry_Int_Tables_number   1
_cell_volume   350.690
_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
  Ca  Ca0  1  0.688  0.873  0.641  1.0
  Ca  Ca1  1  0.188  0.373  0.859  1.0
  Ca  Ca2  1  0.312  0.127  0.359  1.0
  Ca  Ca3  1  0.812  0.627  0.141  1.0
  Se  Se4  1  0.819  0.048  0.194  1.0
  Se  Se5  1  0.319  0.548  0.306  1.0
  Se  Se6  1  0.181  0.952  0.806  1.0
  Se  Se7  1  0.681  0.452  0.694  1.0
  O  O8  1  0.020  0.214  0.157  1.0
  O  O9  1  0.520  0.714  0.343  1.0
  O  O10  1  0.980  0.786  0.843  1.0
  O  O11  1  0.480  0.286  0.657  1.0
  O  O12  1  0.422  0.407  0.187  1.0
  O  O13  1  0.922  0.907  0.313  1.0
  O  O14  1  0.578  0.593  0.813  1.0
  O  O15  1  0.078  0.093  0.687  1.0
  O  O16  1  0.802  0.529  0.480  1.0
  O  O17  1  0.302  0.029  0.020  1.0
  O  O18  1  0.198  0.471  0.520  1.0
  O  O19  1  0.698  0.971  0.980  1.0
  O  O20  1  0.658  0.088  0.370  1.0
  O  O21  1  0.158  0.588  0.130  1.0
  O  O22  1  0.342  0.912  0.630  1.0
  O  O23  1  0.842  0.412  0.870  1.0
[/CIF]
.
The structure described by CaSeO4 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(4), and three equivalent O(2) atoms. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one Se(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Ca(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_CaSeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.765
_cell_length_b   8.348
_cell_length_c   6.467
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.189
_symmetry_Int_Tables_number   1
_cell_volume   350.690
_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
  Ca  Ca0  1  0.688  0.873  0.641  1.0
  Ca  Ca1  1  0.188  0.373  0.859  1.0
  Ca  Ca2  1  0.312  0.127  0.359  1.0
  Ca  Ca3  1  0.812  0.627  0.141  1.0
  Se  Se4  1  0.819  0.048  0.194  1.0
  Se  Se5  1  0.319  0.548  0.306  1.0
  Se  Se6  1  0.181  0.952  0.806  1.0
  Se  Se7  1  0.681  0.452  0.694  1.0
  O  O8  1  0.020  0.214  0.157  1.0
  O  O9  1  0.520  0.714  0.343  1.0
  O  O10  1  0.980  0.786  0.843  1.0
  O  O11  1  0.480  0.286  0.657  1.0
  O  O12  1  0.422  0.407  0.187  1.0
  O  O13  1  0.922  0.907  0.313  1.0
  O  O14  1  0.578  0.593  0.813  1.0
  O  O15  1  0.078  0.093  0.687  1.0
  O  O16  1  0.802  0.529  0.480  1.0
  O  O17  1  0.302  0.029  0.020  1.0
  O  O18  1  0.198  0.471  0.520  1.0
  O  O19  1  0.698  0.971  0.980  1.0
  O  O20  1  0.658  0.088  0.370  1.0
  O  O21  1  0.158  0.588  0.130  1.0
  O  O22  1  0.342  0.912  0.630  1.0
  O  O23  1  0.842  0.412  0.870  1.0
[/CIF]
.