The material described by LiSiBiO4 is Chalcostibite-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Bi(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Bi(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Bi(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Bi(1)O4 tetrahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form distorted BiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), 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 Li(1), one Si(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Si(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Si(2), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(2), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Si(2), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_LiSiBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.963
_cell_length_b   8.963
_cell_length_c   8.963
_cell_angle_alpha   107.350
_cell_angle_beta   107.350
_cell_angle_gamma   107.350
_symmetry_Int_Tables_number   1
_cell_volume   593.885
_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  0.955  0.527  0.790  1.0
  Li  Li1  1  0.451  0.232  0.059  1.0
  Li  Li2  1  0.232  0.059  0.451  1.0
  Li  Li3  1  0.790  0.955  0.527  1.0
  Li  Li4  1  0.527  0.790  0.955  1.0
  Li  Li5  1  0.059  0.451  0.232  1.0
  Si  Si6  1  0.881  0.090  0.282  1.0
  Si  Si7  1  0.813  0.551  0.386  1.0
  Si  Si8  1  0.551  0.386  0.813  1.0
  Si  Si9  1  0.090  0.282  0.881  1.0
  Si  Si10  1  0.386  0.813  0.551  1.0
  Si  Si11  1  0.282  0.881  0.090  1.0
  Bi  Bi12  1  0.717  0.110  0.879  1.0
  Bi  Bi13  1  0.605  0.217  0.460  1.0
  Bi  Bi14  1  0.879  0.717  0.110  1.0
  Bi  Bi15  1  0.460  0.605  0.217  1.0
  Bi  Bi16  1  0.217  0.460  0.605  1.0
  Bi  Bi17  1  0.110  0.879  0.717  1.0
  O  O18  1  0.757  0.987  0.072  1.0
  O  O19  1  0.981  0.331  0.990  1.0
  O  O20  1  0.758  0.085  0.387  1.0
  O  O21  1  0.540  0.239  0.890  1.0
  O  O22  1  0.338  0.017  0.288  1.0
  O  O23  1  0.725  0.428  0.778  1.0
  O  O24  1  0.890  0.540  0.239  1.0
  O  O25  1  0.627  0.379  0.307  1.0
  O  O26  1  0.954  0.569  0.569  1.0
  O  O27  1  0.569  0.569  0.954  1.0
  O  O28  1  0.379  0.307  0.627  1.0
  O  O29  1  0.990  0.981  0.331  1.0
  O  O30  1  0.987  0.072  0.757  1.0
  O  O31  1  0.778  0.725  0.428  1.0
  O  O32  1  0.288  0.338  0.017  1.0
  O  O33  1  0.017  0.288  0.338  1.0
  O  O34  1  0.428  0.778  0.725  1.0
  O  O35  1  0.085  0.387  0.758  1.0
  O  O36  1  0.307  0.627  0.379  1.0
  O  O37  1  0.569  0.954  0.569  1.0
  O  O38  1  0.387  0.758  0.085  1.0
  O  O39  1  0.239  0.890  0.540  1.0
  O  O40  1  0.072  0.757  0.987  1.0
  O  O41  1  0.331  0.990  0.981  1.0
[/CIF]
.
The material described by LiSiBiO4 is Chalcostibite-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Bi(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Bi(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Bi(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Bi(1)O4 tetrahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form distorted BiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), 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 Li(1), one Si(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Si(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Si(2), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(2), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Si(2), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_LiSiBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.963
_cell_length_b   8.963
_cell_length_c   8.963
_cell_angle_alpha   107.350
_cell_angle_beta   107.350
_cell_angle_gamma   107.350
_symmetry_Int_Tables_number   1
_cell_volume   593.885
_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  0.955  0.527  0.790  1.0
  Li  Li1  1  0.451  0.232  0.059  1.0
  Li  Li2  1  0.232  0.059  0.451  1.0
  Li  Li3  1  0.790  0.955  0.527  1.0
  Li  Li4  1  0.527  0.790  0.955  1.0
  Li  Li5  1  0.059  0.451  0.232  1.0
  Si  Si6  1  0.881  0.090  0.282  1.0
  Si  Si7  1  0.813  0.551  0.386  1.0
  Si  Si8  1  0.551  0.386  0.813  1.0
  Si  Si9  1  0.090  0.282  0.881  1.0
  Si  Si10  1  0.386  0.813  0.551  1.0
  Si  Si11  1  0.282  0.881  0.090  1.0
  Bi  Bi12  1  0.717  0.110  0.879  1.0
  Bi  Bi13  1  0.605  0.217  0.460  1.0
  Bi  Bi14  1  0.879  0.717  0.110  1.0
  Bi  Bi15  1  0.460  0.605  0.217  1.0
  Bi  Bi16  1  0.217  0.460  0.605  1.0
  Bi  Bi17  1  0.110  0.879  0.717  1.0
  O  O18  1  0.757  0.987  0.072  1.0
  O  O19  1  0.981  0.331  0.990  1.0
  O  O20  1  0.758  0.085  0.387  1.0
  O  O21  1  0.540  0.239  0.890  1.0
  O  O22  1  0.338  0.017  0.288  1.0
  O  O23  1  0.725  0.428  0.778  1.0
  O  O24  1  0.890  0.540  0.239  1.0
  O  O25  1  0.627  0.379  0.307  1.0
  O  O26  1  0.954  0.569  0.569  1.0
  O  O27  1  0.569  0.569  0.954  1.0
  O  O28  1  0.379  0.307  0.627  1.0
  O  O29  1  0.990  0.981  0.331  1.0
  O  O30  1  0.987  0.072  0.757  1.0
  O  O31  1  0.778  0.725  0.428  1.0
  O  O32  1  0.288  0.338  0.017  1.0
  O  O33  1  0.017  0.288  0.338  1.0
  O  O34  1  0.428  0.778  0.725  1.0
  O  O35  1  0.085  0.387  0.758  1.0
  O  O36  1  0.307  0.627  0.379  1.0
  O  O37  1  0.569  0.954  0.569  1.0
  O  O38  1  0.387  0.758  0.085  1.0
  O  O39  1  0.239  0.890  0.540  1.0
  O  O40  1  0.072  0.757  0.987  1.0
  O  O41  1  0.331  0.990  0.981  1.0
[/CIF]
.