The crystal structure described by LiSiBiO4 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-78°. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted BiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and corners with six equivalent Si(1)O4 tetrahedra. In the third Bi site, Bi(3) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Si(1), and one Bi(3) atom. 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 distorted bent 120 degrees geometry to one Li(1), one Si(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Si(1), and one Bi(2) atom. is represented by the CIF file [CIF]
data_LiSiBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.984
_cell_length_b   8.984
_cell_length_c   8.363
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   584.559
_cell_formula_units_Z   6
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  0.027  0.684  0.257  1.0
  Li  Li1  1  0.316  0.343  0.257  1.0
  Li  Li2  1  0.657  0.973  0.257  1.0
  Li  Li3  1  0.343  0.027  0.757  1.0
  Li  Li4  1  0.684  0.657  0.757  1.0
  Li  Li5  1  0.973  0.316  0.757  1.0
  Si  Si6  1  0.023  0.677  0.871  1.0
  Si  Si7  1  0.323  0.347  0.871  1.0
  Si  Si8  1  0.653  0.977  0.871  1.0
  Si  Si9  1  0.347  0.023  0.371  1.0
  Si  Si10  1  0.677  0.653  0.371  1.0
  Si  Si11  1  0.977  0.323  0.371  1.0
  Bi  Bi12  1  0.333  0.667  0.996  1.0
  Bi  Bi13  1  0.333  0.667  0.548  1.0
  Bi  Bi14  1  0.000  0.000  0.947  1.0
  Bi  Bi15  1  0.000  0.000  0.447  1.0
  Bi  Bi16  1  0.667  0.333  0.496  1.0
  Bi  Bi17  1  0.667  0.333  0.048  1.0
  O  O18  1  0.079  0.864  0.782  1.0
  O  O19  1  0.116  0.732  0.048  1.0
  O  O20  1  0.110  0.572  0.784  1.0
  O  O21  1  0.244  0.812  0.388  1.0
  O  O22  1  0.188  0.433  0.388  1.0
  O  O23  1  0.136  0.215  0.782  1.0
  O  O24  1  0.463  0.890  0.784  1.0
  O  O25  1  0.268  0.384  0.048  1.0
  O  O26  1  0.616  0.884  0.048  1.0
  O  O27  1  0.215  0.079  0.282  1.0
  O  O28  1  0.428  0.537  0.784  1.0
  O  O29  1  0.567  0.756  0.388  1.0
  O  O30  1  0.433  0.244  0.888  1.0
  O  O31  1  0.572  0.463  0.284  1.0
  O  O32  1  0.785  0.921  0.782  1.0
  O  O33  1  0.384  0.116  0.548  1.0
  O  O34  1  0.732  0.616  0.548  1.0
  O  O35  1  0.537  0.110  0.284  1.0
  O  O36  1  0.864  0.785  0.282  1.0
  O  O37  1  0.812  0.567  0.888  1.0
  O  O38  1  0.756  0.188  0.888  1.0
  O  O39  1  0.890  0.428  0.284  1.0
  O  O40  1  0.884  0.268  0.548  1.0
  O  O41  1  0.921  0.136  0.282  1.0
[/CIF]
.
The crystal structure described by LiSiBiO4 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-78°. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted BiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and corners with six equivalent Si(1)O4 tetrahedra. In the third Bi site, Bi(3) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Si(1), and one Bi(3) atom. 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 distorted bent 120 degrees geometry to one Li(1), one Si(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Si(1), and one Bi(2) atom. is represented by the CIF file [CIF]
data_LiSiBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.984
_cell_length_b   8.984
_cell_length_c   8.363
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   584.559
_cell_formula_units_Z   6
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  0.027  0.684  0.257  1.0
  Li  Li1  1  0.316  0.343  0.257  1.0
  Li  Li2  1  0.657  0.973  0.257  1.0
  Li  Li3  1  0.343  0.027  0.757  1.0
  Li  Li4  1  0.684  0.657  0.757  1.0
  Li  Li5  1  0.973  0.316  0.757  1.0
  Si  Si6  1  0.023  0.677  0.871  1.0
  Si  Si7  1  0.323  0.347  0.871  1.0
  Si  Si8  1  0.653  0.977  0.871  1.0
  Si  Si9  1  0.347  0.023  0.371  1.0
  Si  Si10  1  0.677  0.653  0.371  1.0
  Si  Si11  1  0.977  0.323  0.371  1.0
  Bi  Bi12  1  0.333  0.667  0.996  1.0
  Bi  Bi13  1  0.333  0.667  0.548  1.0
  Bi  Bi14  1  0.000  0.000  0.947  1.0
  Bi  Bi15  1  0.000  0.000  0.447  1.0
  Bi  Bi16  1  0.667  0.333  0.496  1.0
  Bi  Bi17  1  0.667  0.333  0.048  1.0
  O  O18  1  0.079  0.864  0.782  1.0
  O  O19  1  0.116  0.732  0.048  1.0
  O  O20  1  0.110  0.572  0.784  1.0
  O  O21  1  0.244  0.812  0.388  1.0
  O  O22  1  0.188  0.433  0.388  1.0
  O  O23  1  0.136  0.215  0.782  1.0
  O  O24  1  0.463  0.890  0.784  1.0
  O  O25  1  0.268  0.384  0.048  1.0
  O  O26  1  0.616  0.884  0.048  1.0
  O  O27  1  0.215  0.079  0.282  1.0
  O  O28  1  0.428  0.537  0.784  1.0
  O  O29  1  0.567  0.756  0.388  1.0
  O  O30  1  0.433  0.244  0.888  1.0
  O  O31  1  0.572  0.463  0.284  1.0
  O  O32  1  0.785  0.921  0.782  1.0
  O  O33  1  0.384  0.116  0.548  1.0
  O  O34  1  0.732  0.616  0.548  1.0
  O  O35  1  0.537  0.110  0.284  1.0
  O  O36  1  0.864  0.785  0.282  1.0
  O  O37  1  0.812  0.567  0.888  1.0
  O  O38  1  0.756  0.188  0.888  1.0
  O  O39  1  0.890  0.428  0.284  1.0
  O  O40  1  0.884  0.268  0.548  1.0
  O  O41  1  0.921  0.136  0.282  1.0
[/CIF]
.