The crystal structure described by ZnSeO3 crystallizes in the orthorhombic Pbca space group. Zn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing ZnO5 trigonal bipyramids. 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(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one Se(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one Se(1) atom. In the third O site, O(2) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_ZnSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.216
_cell_length_b   7.214
_cell_length_c   12.012
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   538.654
_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
  Zn  Zn0  1  0.865  0.392  0.595  1.0
  Zn  Zn1  1  0.365  0.608  0.905  1.0
  Zn  Zn2  1  0.635  0.892  0.405  1.0
  Zn  Zn3  1  0.135  0.108  0.095  1.0
  Zn  Zn4  1  0.135  0.608  0.405  1.0
  Zn  Zn5  1  0.635  0.392  0.095  1.0
  Zn  Zn6  1  0.365  0.108  0.595  1.0
  Zn  Zn7  1  0.865  0.892  0.905  1.0
  Se  Se8  1  0.890  0.955  0.643  1.0
  Se  Se9  1  0.390  0.045  0.857  1.0
  Se  Se10  1  0.610  0.455  0.357  1.0
  Se  Se11  1  0.110  0.545  0.143  1.0
  Se  Se12  1  0.110  0.045  0.357  1.0
  Se  Se13  1  0.610  0.955  0.143  1.0
  Se  Se14  1  0.390  0.545  0.643  1.0
  Se  Se15  1  0.890  0.455  0.857  1.0
  O  O16  1  0.019  0.652  0.907  1.0
  O  O17  1  0.519  0.348  0.593  1.0
  O  O18  1  0.481  0.152  0.093  1.0
  O  O19  1  0.981  0.848  0.407  1.0
  O  O20  1  0.981  0.348  0.093  1.0
  O  O21  1  0.481  0.652  0.407  1.0
  O  O22  1  0.519  0.848  0.907  1.0
  O  O23  1  0.019  0.152  0.593  1.0
  O  O24  1  0.658  0.470  0.934  1.0
  O  O25  1  0.158  0.530  0.566  1.0
  O  O26  1  0.842  0.970  0.066  1.0
  O  O27  1  0.342  0.030  0.434  1.0
  O  O28  1  0.342  0.530  0.066  1.0
  O  O29  1  0.842  0.470  0.434  1.0
  O  O30  1  0.158  0.030  0.934  1.0
  O  O31  1  0.658  0.970  0.566  1.0
  O  O32  1  0.800  0.035  0.767  1.0
  O  O33  1  0.300  0.965  0.733  1.0
  O  O34  1  0.700  0.535  0.233  1.0
  O  O35  1  0.200  0.465  0.267  1.0
  O  O36  1  0.200  0.965  0.233  1.0
  O  O37  1  0.700  0.035  0.267  1.0
  O  O38  1  0.300  0.465  0.767  1.0
  O  O39  1  0.800  0.535  0.733  1.0
[/CIF]
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The crystal structure described by ZnSeO3 crystallizes in the orthorhombic Pbca space group. Zn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing ZnO5 trigonal bipyramids. 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(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one Se(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one Se(1) atom. In the third O site, O(2) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_ZnSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.216
_cell_length_b   7.214
_cell_length_c   12.012
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   538.654
_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
  Zn  Zn0  1  0.865  0.392  0.595  1.0
  Zn  Zn1  1  0.365  0.608  0.905  1.0
  Zn  Zn2  1  0.635  0.892  0.405  1.0
  Zn  Zn3  1  0.135  0.108  0.095  1.0
  Zn  Zn4  1  0.135  0.608  0.405  1.0
  Zn  Zn5  1  0.635  0.392  0.095  1.0
  Zn  Zn6  1  0.365  0.108  0.595  1.0
  Zn  Zn7  1  0.865  0.892  0.905  1.0
  Se  Se8  1  0.890  0.955  0.643  1.0
  Se  Se9  1  0.390  0.045  0.857  1.0
  Se  Se10  1  0.610  0.455  0.357  1.0
  Se  Se11  1  0.110  0.545  0.143  1.0
  Se  Se12  1  0.110  0.045  0.357  1.0
  Se  Se13  1  0.610  0.955  0.143  1.0
  Se  Se14  1  0.390  0.545  0.643  1.0
  Se  Se15  1  0.890  0.455  0.857  1.0
  O  O16  1  0.019  0.652  0.907  1.0
  O  O17  1  0.519  0.348  0.593  1.0
  O  O18  1  0.481  0.152  0.093  1.0
  O  O19  1  0.981  0.848  0.407  1.0
  O  O20  1  0.981  0.348  0.093  1.0
  O  O21  1  0.481  0.652  0.407  1.0
  O  O22  1  0.519  0.848  0.907  1.0
  O  O23  1  0.019  0.152  0.593  1.0
  O  O24  1  0.658  0.470  0.934  1.0
  O  O25  1  0.158  0.530  0.566  1.0
  O  O26  1  0.842  0.970  0.066  1.0
  O  O27  1  0.342  0.030  0.434  1.0
  O  O28  1  0.342  0.530  0.066  1.0
  O  O29  1  0.842  0.470  0.434  1.0
  O  O30  1  0.158  0.030  0.934  1.0
  O  O31  1  0.658  0.970  0.566  1.0
  O  O32  1  0.800  0.035  0.767  1.0
  O  O33  1  0.300  0.965  0.733  1.0
  O  O34  1  0.700  0.535  0.233  1.0
  O  O35  1  0.200  0.465  0.267  1.0
  O  O36  1  0.200  0.965  0.233  1.0
  O  O37  1  0.700  0.035  0.267  1.0
  O  O38  1  0.300  0.465  0.767  1.0
  O  O39  1  0.800  0.535  0.733  1.0
[/CIF]
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