The material structure described by ZnSe2O5 crystallizes in the orthorhombic Pbcn space group. Zn(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing ZnO6 octahedra. Se(1) is bonded in a distorted trigonal non-coplanar 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 bent 120 degrees geometry to one Zn(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_ZnSe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.056
_cell_length_b   6.800
_cell_length_c   10.430
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   429.522
_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
  Zn  Zn0  1  0.750  0.000  0.941  1.0
  Zn  Zn1  1  0.250  0.500  0.559  1.0
  Zn  Zn2  1  0.250  0.000  0.059  1.0
  Zn  Zn3  1  0.750  0.500  0.441  1.0
  Se  Se4  1  0.030  0.368  0.845  1.0
  Se  Se5  1  0.530  0.132  0.655  1.0
  Se  Se6  1  0.970  0.868  0.655  1.0
  Se  Se7  1  0.470  0.632  0.845  1.0
  Se  Se8  1  0.970  0.632  0.155  1.0
  Se  Se9  1  0.470  0.868  0.345  1.0
  Se  Se10  1  0.030  0.132  0.345  1.0
  Se  Se11  1  0.530  0.368  0.155  1.0
  O  O12  1  0.750  0.000  0.568  1.0
  O  O13  1  0.250  0.500  0.932  1.0
  O  O14  1  0.250  0.000  0.432  1.0
  O  O15  1  0.750  0.500  0.068  1.0
  O  O16  1  0.161  0.304  0.710  1.0
  O  O17  1  0.661  0.196  0.790  1.0
  O  O18  1  0.839  0.804  0.790  1.0
  O  O19  1  0.339  0.696  0.710  1.0
  O  O20  1  0.839  0.696  0.290  1.0
  O  O21  1  0.339  0.804  0.210  1.0
  O  O22  1  0.161  0.196  0.210  1.0
  O  O23  1  0.661  0.304  0.290  1.0
  O  O24  1  0.045  0.343  0.434  1.0
  O  O25  1  0.545  0.157  0.066  1.0
  O  O26  1  0.955  0.843  0.066  1.0
  O  O27  1  0.455  0.657  0.434  1.0
  O  O28  1  0.955  0.657  0.566  1.0
  O  O29  1  0.455  0.843  0.934  1.0
  O  O30  1  0.045  0.157  0.934  1.0
  O  O31  1  0.545  0.343  0.566  1.0
[/CIF]
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The material structure described by ZnSe2O5 crystallizes in the orthorhombic Pbcn space group. Zn(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing ZnO6 octahedra. Se(1) is bonded in a distorted trigonal non-coplanar 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 bent 120 degrees geometry to one Zn(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_ZnSe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.056
_cell_length_b   6.800
_cell_length_c   10.430
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   429.522
_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
  Zn  Zn0  1  0.750  0.000  0.941  1.0
  Zn  Zn1  1  0.250  0.500  0.559  1.0
  Zn  Zn2  1  0.250  0.000  0.059  1.0
  Zn  Zn3  1  0.750  0.500  0.441  1.0
  Se  Se4  1  0.030  0.368  0.845  1.0
  Se  Se5  1  0.530  0.132  0.655  1.0
  Se  Se6  1  0.970  0.868  0.655  1.0
  Se  Se7  1  0.470  0.632  0.845  1.0
  Se  Se8  1  0.970  0.632  0.155  1.0
  Se  Se9  1  0.470  0.868  0.345  1.0
  Se  Se10  1  0.030  0.132  0.345  1.0
  Se  Se11  1  0.530  0.368  0.155  1.0
  O  O12  1  0.750  0.000  0.568  1.0
  O  O13  1  0.250  0.500  0.932  1.0
  O  O14  1  0.250  0.000  0.432  1.0
  O  O15  1  0.750  0.500  0.068  1.0
  O  O16  1  0.161  0.304  0.710  1.0
  O  O17  1  0.661  0.196  0.790  1.0
  O  O18  1  0.839  0.804  0.790  1.0
  O  O19  1  0.339  0.696  0.710  1.0
  O  O20  1  0.839  0.696  0.290  1.0
  O  O21  1  0.339  0.804  0.210  1.0
  O  O22  1  0.161  0.196  0.210  1.0
  O  O23  1  0.661  0.304  0.290  1.0
  O  O24  1  0.045  0.343  0.434  1.0
  O  O25  1  0.545  0.157  0.066  1.0
  O  O26  1  0.955  0.843  0.066  1.0
  O  O27  1  0.455  0.657  0.434  1.0
  O  O28  1  0.955  0.657  0.566  1.0
  O  O29  1  0.455  0.843  0.934  1.0
  O  O30  1  0.045  0.157  0.934  1.0
  O  O31  1  0.545  0.343  0.566  1.0
[/CIF]
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