The material structure described by Si2BiO6 crystallizes in the monoclinic C2/c space group. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-59°. Bi(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted BiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Bi(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Si(1) and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Si(1) and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.009
_cell_length_b   7.009
_cell_length_c   5.463
_cell_angle_alpha   75.904
_cell_angle_beta   75.904
_cell_angle_gamma   86.136
_symmetry_Int_Tables_number   1
_cell_volume   252.401
_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
  Si  Si0  1  0.779  0.625  0.268  1.0
  Si  Si1  1  0.375  0.221  0.232  1.0
  Si  Si2  1  0.625  0.779  0.768  1.0
  Si  Si3  1  0.221  0.375  0.732  1.0
  Bi  Bi4  1  0.871  0.129  0.250  1.0
  Bi  Bi5  1  0.129  0.871  0.750  1.0
  O  O6  1  0.664  0.632  0.036  1.0
  O  O7  1  0.368  0.336  0.464  1.0
  O  O8  1  0.336  0.368  0.964  1.0
  O  O9  1  0.632  0.664  0.536  1.0
  O  O10  1  0.893  0.416  0.326  1.0
  O  O11  1  0.584  0.107  0.174  1.0
  O  O12  1  0.107  0.584  0.674  1.0
  O  O13  1  0.416  0.893  0.826  1.0
  O  O14  1  0.811  0.939  0.660  1.0
  O  O15  1  0.061  0.189  0.840  1.0
  O  O16  1  0.939  0.811  0.160  1.0
  O  O17  1  0.189  0.061  0.340  1.0
[/CIF]
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The material structure described by Si2BiO6 crystallizes in the monoclinic C2/c space group. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-59°. Bi(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted BiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Bi(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Si(1) and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Si(1) and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.009
_cell_length_b   7.009
_cell_length_c   5.463
_cell_angle_alpha   75.904
_cell_angle_beta   75.904
_cell_angle_gamma   86.136
_symmetry_Int_Tables_number   1
_cell_volume   252.401
_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
  Si  Si0  1  0.779  0.625  0.268  1.0
  Si  Si1  1  0.375  0.221  0.232  1.0
  Si  Si2  1  0.625  0.779  0.768  1.0
  Si  Si3  1  0.221  0.375  0.732  1.0
  Bi  Bi4  1  0.871  0.129  0.250  1.0
  Bi  Bi5  1  0.129  0.871  0.750  1.0
  O  O6  1  0.664  0.632  0.036  1.0
  O  O7  1  0.368  0.336  0.464  1.0
  O  O8  1  0.336  0.368  0.964  1.0
  O  O9  1  0.632  0.664  0.536  1.0
  O  O10  1  0.893  0.416  0.326  1.0
  O  O11  1  0.584  0.107  0.174  1.0
  O  O12  1  0.107  0.584  0.674  1.0
  O  O13  1  0.416  0.893  0.826  1.0
  O  O14  1  0.811  0.939  0.660  1.0
  O  O15  1  0.061  0.189  0.840  1.0
  O  O16  1  0.939  0.811  0.160  1.0
  O  O17  1  0.189  0.061  0.340  1.0
[/CIF]
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