The material structure described by ZnSeO5 crystallizes in the monoclinic C2/c space group. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with four equivalent Se(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. Se(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SeO4 tetrahedra that share corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one Se(1) atom. In the second O site, O(2) is bonded in a 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 bent 120 degrees geometry to two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnSeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.398
_cell_length_b   5.398
_cell_length_c   7.548
_cell_angle_alpha   73.799
_cell_angle_beta   73.799
_cell_angle_gamma   101.421
_symmetry_Int_Tables_number   1
_cell_volume   193.556
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.500  1.0
  Se  Se2  1  0.335  0.665  0.750  1.0
  Se  Se3  1  0.665  0.335  0.250  1.0
  O  O4  1  0.354  0.910  0.848  1.0
  O  O5  1  0.646  0.090  0.152  1.0
  O  O6  1  0.090  0.646  0.652  1.0
  O  O7  1  0.910  0.354  0.348  1.0
  O  O8  1  0.268  0.368  0.929  1.0
  O  O9  1  0.732  0.632  0.071  1.0
  O  O10  1  0.632  0.732  0.571  1.0
  O  O11  1  0.368  0.268  0.429  1.0
  O  O12  1  0.904  0.096  0.750  1.0
  O  O13  1  0.096  0.904  0.250  1.0
[/CIF]
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The material structure described by ZnSeO5 crystallizes in the monoclinic C2/c space group. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with four equivalent Se(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. Se(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SeO4 tetrahedra that share corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one Se(1) atom. In the second O site, O(2) is bonded in a 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 bent 120 degrees geometry to two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnSeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.398
_cell_length_b   5.398
_cell_length_c   7.548
_cell_angle_alpha   73.799
_cell_angle_beta   73.799
_cell_angle_gamma   101.421
_symmetry_Int_Tables_number   1
_cell_volume   193.556
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.500  1.0
  Se  Se2  1  0.335  0.665  0.750  1.0
  Se  Se3  1  0.665  0.335  0.250  1.0
  O  O4  1  0.354  0.910  0.848  1.0
  O  O5  1  0.646  0.090  0.152  1.0
  O  O6  1  0.090  0.646  0.652  1.0
  O  O7  1  0.910  0.354  0.348  1.0
  O  O8  1  0.268  0.368  0.929  1.0
  O  O9  1  0.732  0.632  0.071  1.0
  O  O10  1  0.632  0.732  0.571  1.0
  O  O11  1  0.368  0.268  0.429  1.0
  O  O12  1  0.904  0.096  0.750  1.0
  O  O13  1  0.096  0.904  0.250  1.0
[/CIF]
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