The material described by SrSeO3 is Potassium chlorate-like structured and crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Sr(1) and one Se(1) atom to form a mixture of distorted edge and corner-sharing OSr3Se tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.470
_cell_length_b   5.476
_cell_length_c   12.520
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.491
_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
  Sr  Sr0  1  0.527  0.250  0.650  1.0
  Sr  Sr1  1  0.973  0.250  0.150  1.0
  Sr  Sr2  1  0.473  0.750  0.350  1.0
  Sr  Sr3  1  0.027  0.750  0.850  1.0
  Se  Se4  1  0.497  0.250  0.922  1.0
  Se  Se5  1  0.997  0.750  0.578  1.0
  Se  Se6  1  0.003  0.250  0.422  1.0
  Se  Se7  1  0.503  0.750  0.078  1.0
  O  O8  1  0.968  0.010  0.336  1.0
  O  O9  1  0.968  0.490  0.336  1.0
  O  O10  1  0.121  0.250  0.945  1.0
  O  O11  1  0.379  0.250  0.445  1.0
  O  O12  1  0.032  0.990  0.664  1.0
  O  O13  1  0.532  0.490  0.836  1.0
  O  O14  1  0.621  0.750  0.555  1.0
  O  O15  1  0.532  0.010  0.836  1.0
  O  O16  1  0.879  0.750  0.055  1.0
  O  O17  1  0.032  0.510  0.664  1.0
  O  O18  1  0.468  0.990  0.164  1.0
  O  O19  1  0.468  0.510  0.164  1.0
[/CIF]
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The material described by SrSeO3 is Potassium chlorate-like structured and crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Sr(1) and one Se(1) atom to form a mixture of distorted edge and corner-sharing OSr3Se tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.470
_cell_length_b   5.476
_cell_length_c   12.520
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.491
_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
  Sr  Sr0  1  0.527  0.250  0.650  1.0
  Sr  Sr1  1  0.973  0.250  0.150  1.0
  Sr  Sr2  1  0.473  0.750  0.350  1.0
  Sr  Sr3  1  0.027  0.750  0.850  1.0
  Se  Se4  1  0.497  0.250  0.922  1.0
  Se  Se5  1  0.997  0.750  0.578  1.0
  Se  Se6  1  0.003  0.250  0.422  1.0
  Se  Se7  1  0.503  0.750  0.078  1.0
  O  O8  1  0.968  0.010  0.336  1.0
  O  O9  1  0.968  0.490  0.336  1.0
  O  O10  1  0.121  0.250  0.945  1.0
  O  O11  1  0.379  0.250  0.445  1.0
  O  O12  1  0.032  0.990  0.664  1.0
  O  O13  1  0.532  0.490  0.836  1.0
  O  O14  1  0.621  0.750  0.555  1.0
  O  O15  1  0.532  0.010  0.836  1.0
  O  O16  1  0.879  0.750  0.055  1.0
  O  O17  1  0.032  0.510  0.664  1.0
  O  O18  1  0.468  0.990  0.164  1.0
  O  O19  1  0.468  0.510  0.164  1.0
[/CIF]
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