The material described by Bi2Se3O10 crystallizes in the monoclinic C2/c space group. Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(5) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one Se(1) atom. In the second O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Bi(1) and one Se(1) atom. In the third O site, O(1) is bonded in a distorted water-like geometry to one Bi(1) and one Se(2) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Bi(1) and one Se(2) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Bi(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_Bi2Se3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.790
_cell_length_b   8.790
_cell_length_c   8.052
_cell_angle_alpha   69.569
_cell_angle_beta   69.569
_cell_angle_gamma   50.722
_symmetry_Int_Tables_number   1
_cell_volume   444.173
_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
  Bi  Bi0  1  0.831  0.531  0.851  1.0
  Bi  Bi1  1  0.469  0.169  0.649  1.0
  Bi  Bi2  1  0.169  0.469  0.149  1.0
  Bi  Bi3  1  0.531  0.831  0.351  1.0
  Se  Se4  1  0.948  0.802  0.467  1.0
  Se  Se5  1  0.198  0.052  0.033  1.0
  Se  Se6  1  0.052  0.198  0.533  1.0
  Se  Se7  1  0.802  0.948  0.967  1.0
  Se  Se8  1  0.610  0.390  0.250  1.0
  Se  Se9  1  0.390  0.610  0.750  1.0
  O  O10  1  0.749  0.291  0.066  1.0
  O  O11  1  0.709  0.251  0.434  1.0
  O  O12  1  0.251  0.709  0.934  1.0
  O  O13  1  0.291  0.749  0.566  1.0
  O  O14  1  0.394  0.419  0.306  1.0
  O  O15  1  0.581  0.606  0.194  1.0
  O  O16  1  0.606  0.581  0.694  1.0
  O  O17  1  0.419  0.394  0.806  1.0
  O  O18  1  0.040  0.579  0.612  1.0
  O  O19  1  0.421  0.960  0.888  1.0
  O  O20  1  0.960  0.421  0.388  1.0
  O  O21  1  0.579  0.040  0.112  1.0
  O  O22  1  0.998  0.745  0.264  1.0
  O  O23  1  0.255  0.002  0.236  1.0
  O  O24  1  0.002  0.255  0.736  1.0
  O  O25  1  0.745  0.998  0.764  1.0
  O  O26  1  0.694  0.894  0.518  1.0
  O  O27  1  0.106  0.306  0.982  1.0
  O  O28  1  0.306  0.106  0.482  1.0
  O  O29  1  0.894  0.694  0.018  1.0
[/CIF]
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The material described by Bi2Se3O10 crystallizes in the monoclinic C2/c space group. Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(5) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one Se(1) atom. In the second O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Bi(1) and one Se(1) atom. In the third O site, O(1) is bonded in a distorted water-like geometry to one Bi(1) and one Se(2) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Bi(1) and one Se(2) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Bi(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_Bi2Se3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.790
_cell_length_b   8.790
_cell_length_c   8.052
_cell_angle_alpha   69.569
_cell_angle_beta   69.569
_cell_angle_gamma   50.722
_symmetry_Int_Tables_number   1
_cell_volume   444.173
_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
  Bi  Bi0  1  0.831  0.531  0.851  1.0
  Bi  Bi1  1  0.469  0.169  0.649  1.0
  Bi  Bi2  1  0.169  0.469  0.149  1.0
  Bi  Bi3  1  0.531  0.831  0.351  1.0
  Se  Se4  1  0.948  0.802  0.467  1.0
  Se  Se5  1  0.198  0.052  0.033  1.0
  Se  Se6  1  0.052  0.198  0.533  1.0
  Se  Se7  1  0.802  0.948  0.967  1.0
  Se  Se8  1  0.610  0.390  0.250  1.0
  Se  Se9  1  0.390  0.610  0.750  1.0
  O  O10  1  0.749  0.291  0.066  1.0
  O  O11  1  0.709  0.251  0.434  1.0
  O  O12  1  0.251  0.709  0.934  1.0
  O  O13  1  0.291  0.749  0.566  1.0
  O  O14  1  0.394  0.419  0.306  1.0
  O  O15  1  0.581  0.606  0.194  1.0
  O  O16  1  0.606  0.581  0.694  1.0
  O  O17  1  0.419  0.394  0.806  1.0
  O  O18  1  0.040  0.579  0.612  1.0
  O  O19  1  0.421  0.960  0.888  1.0
  O  O20  1  0.960  0.421  0.388  1.0
  O  O21  1  0.579  0.040  0.112  1.0
  O  O22  1  0.998  0.745  0.264  1.0
  O  O23  1  0.255  0.002  0.236  1.0
  O  O24  1  0.002  0.255  0.736  1.0
  O  O25  1  0.745  0.998  0.764  1.0
  O  O26  1  0.694  0.894  0.518  1.0
  O  O27  1  0.106  0.306  0.982  1.0
  O  O28  1  0.306  0.106  0.482  1.0
  O  O29  1  0.894  0.694  0.018  1.0
[/CIF]
.