The material structure described by Sr2Bi2Se3O2 crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 3-coordinate geometry to one Se(1), four equivalent Se(2), and three equivalent O(1) atoms. Bi(1) is bonded in a distorted single-bond geometry to two equivalent Se(1), two equivalent Se(2), and one O(1) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Sr(1) and four equivalent Bi(1) atoms to form SeSr2Bi4 octahedra that share corners with two equivalent O(1)Sr3Bi tetrahedra, edges with two equivalent Se(1)Sr2Bi4 octahedra, and edges with four equivalent O(1)Sr3Bi tetrahedra. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Bi(1) atoms. O(1) is bonded to three equivalent Sr(1) and one Bi(1) atom to form OSr3Bi tetrahedra that share  a cornercorner with one Se(1)Sr2Bi4 octahedra, corners with two equivalent O(1)Sr3Bi tetrahedra, edges with two equivalent Se(1)Sr2Bi4 octahedra, and edges with two equivalent O(1)Sr3Bi tetrahedra. The corner-sharing octahedral tilt angles are 48°. is represented by the CIF file [CIF]
data_Sr2Bi2Se3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.136
_cell_length_b   7.186
_cell_length_c   8.468
_cell_angle_alpha   76.304
_cell_angle_beta   75.863
_cell_angle_gamma   73.273
_symmetry_Int_Tables_number   1
_cell_volume   229.969
_cell_formula_units_Z   1
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  0.893  0.318  0.896  1.0
  Sr  Sr1  1  0.107  0.682  0.104  1.0
  Bi  Bi2  1  0.691  0.256  0.363  1.0
  Bi  Bi3  1  0.309  0.744  0.637  1.0
  Se  Se4  1  0.000  0.500  0.500  1.0
  Se  Se5  1  0.630  0.958  0.783  1.0
  Se  Se6  1  0.370  0.042  0.217  1.0
  O  O7  1  0.313  0.521  0.854  1.0
  O  O8  1  0.687  0.479  0.146  1.0
[/CIF]
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The material structure described by Sr2Bi2Se3O2 crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 3-coordinate geometry to one Se(1), four equivalent Se(2), and three equivalent O(1) atoms. Bi(1) is bonded in a distorted single-bond geometry to two equivalent Se(1), two equivalent Se(2), and one O(1) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Sr(1) and four equivalent Bi(1) atoms to form SeSr2Bi4 octahedra that share corners with two equivalent O(1)Sr3Bi tetrahedra, edges with two equivalent Se(1)Sr2Bi4 octahedra, and edges with four equivalent O(1)Sr3Bi tetrahedra. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Bi(1) atoms. O(1) is bonded to three equivalent Sr(1) and one Bi(1) atom to form OSr3Bi tetrahedra that share  a cornercorner with one Se(1)Sr2Bi4 octahedra, corners with two equivalent O(1)Sr3Bi tetrahedra, edges with two equivalent Se(1)Sr2Bi4 octahedra, and edges with two equivalent O(1)Sr3Bi tetrahedra. The corner-sharing octahedral tilt angles are 48°. is represented by the CIF file [CIF]
data_Sr2Bi2Se3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.136
_cell_length_b   7.186
_cell_length_c   8.468
_cell_angle_alpha   76.304
_cell_angle_beta   75.863
_cell_angle_gamma   73.273
_symmetry_Int_Tables_number   1
_cell_volume   229.969
_cell_formula_units_Z   1
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  0.893  0.318  0.896  1.0
  Sr  Sr1  1  0.107  0.682  0.104  1.0
  Bi  Bi2  1  0.691  0.256  0.363  1.0
  Bi  Bi3  1  0.309  0.744  0.637  1.0
  Se  Se4  1  0.000  0.500  0.500  1.0
  Se  Se5  1  0.630  0.958  0.783  1.0
  Se  Se6  1  0.370  0.042  0.217  1.0
  O  O7  1  0.313  0.521  0.854  1.0
  O  O8  1  0.687  0.479  0.146  1.0
[/CIF]
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