The material structure described by LiSi2BiO6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) 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 42-66°. Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) 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 4-coordinate geometry to one Li(1), one Si(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_LiSi2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.111
_cell_length_b   7.111
_cell_length_c   5.528
_cell_angle_alpha   75.725
_cell_angle_beta   75.725
_cell_angle_gamma   88.134
_symmetry_Int_Tables_number   1
_cell_volume   262.419
_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
  Li  Li0  1  0.239  0.761  0.250  1.0
  Li  Li1  1  0.761  0.239  0.750  1.0
  Si  Si2  1  0.776  0.617  0.293  1.0
  Si  Si3  1  0.617  0.776  0.793  1.0
  Si  Si4  1  0.383  0.224  0.207  1.0
  Si  Si5  1  0.224  0.383  0.707  1.0
  Bi  Bi6  1  0.876  0.124  0.250  1.0
  Bi  Bi7  1  0.124  0.876  0.750  1.0
  O  O8  1  0.962  0.772  0.189  1.0
  O  O9  1  0.772  0.962  0.689  1.0
  O  O10  1  0.834  0.392  0.393  1.0
  O  O11  1  0.675  0.631  0.048  1.0
  O  O12  1  0.392  0.834  0.893  1.0
  O  O13  1  0.631  0.675  0.548  1.0
  O  O14  1  0.369  0.325  0.452  1.0
  O  O15  1  0.608  0.166  0.107  1.0
  O  O16  1  0.325  0.369  0.952  1.0
  O  O17  1  0.166  0.608  0.607  1.0
  O  O18  1  0.228  0.038  0.311  1.0
  O  O19  1  0.038  0.228  0.811  1.0
[/CIF]
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The material structure described by LiSi2BiO6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) 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 42-66°. Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) 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 4-coordinate geometry to one Li(1), one Si(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_LiSi2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.111
_cell_length_b   7.111
_cell_length_c   5.528
_cell_angle_alpha   75.725
_cell_angle_beta   75.725
_cell_angle_gamma   88.134
_symmetry_Int_Tables_number   1
_cell_volume   262.419
_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
  Li  Li0  1  0.239  0.761  0.250  1.0
  Li  Li1  1  0.761  0.239  0.750  1.0
  Si  Si2  1  0.776  0.617  0.293  1.0
  Si  Si3  1  0.617  0.776  0.793  1.0
  Si  Si4  1  0.383  0.224  0.207  1.0
  Si  Si5  1  0.224  0.383  0.707  1.0
  Bi  Bi6  1  0.876  0.124  0.250  1.0
  Bi  Bi7  1  0.124  0.876  0.750  1.0
  O  O8  1  0.962  0.772  0.189  1.0
  O  O9  1  0.772  0.962  0.689  1.0
  O  O10  1  0.834  0.392  0.393  1.0
  O  O11  1  0.675  0.631  0.048  1.0
  O  O12  1  0.392  0.834  0.893  1.0
  O  O13  1  0.631  0.675  0.548  1.0
  O  O14  1  0.369  0.325  0.452  1.0
  O  O15  1  0.608  0.166  0.107  1.0
  O  O16  1  0.325  0.369  0.952  1.0
  O  O17  1  0.166  0.608  0.607  1.0
  O  O18  1  0.228  0.038  0.311  1.0
  O  O19  1  0.038  0.228  0.811  1.0
[/CIF]
.