The material described by LiSiBiO4 is Chalcostibite-derived structured and crystallizes in the monoclinic Pc 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(4), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Bi(2)O4 tetrahedra, and corners with three equivalent Si(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and corners with three equivalent Bi(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Bi(2)O4 tetrahedra, and corners with three equivalent Li(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Bi(2)O4 tetrahedra, and corners with three equivalent Li(1)O4 tetrahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(8) atom. In the second Bi site, Bi(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form BiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with three equivalent Li(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Si(2), 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(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Si(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Si(2), one Bi(1), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Si(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), 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(1), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Si(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_LiSiBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.374
_cell_length_b   8.852
_cell_length_c   8.934
_cell_angle_alpha   72.354
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   405.009
_cell_formula_units_Z   4
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  0.331  0.132  0.217  1.0
  Li  Li1  1  0.826  0.644  0.375  1.0
  Li  Li2  1  0.669  0.132  0.717  1.0
  Li  Li3  1  0.174  0.644  0.875  1.0
  Si  Si4  1  0.684  0.751  0.994  1.0
  Si  Si5  1  0.792  0.258  0.347  1.0
  Si  Si6  1  0.316  0.751  0.494  1.0
  Si  Si7  1  0.208  0.258  0.847  1.0
  Bi  Bi8  1  0.842  0.036  0.072  1.0
  Bi  Bi9  1  0.322  0.504  0.256  1.0
  Bi  Bi10  1  0.158  0.036  0.572  1.0
  Bi  Bi11  1  0.678  0.504  0.756  1.0
  O  O12  1  0.242  0.112  0.015  1.0
  O  O13  1  0.390  0.699  0.024  1.0
  O  O14  1  0.647  0.227  0.199  1.0
  O  O15  1  0.103  0.255  0.327  1.0
  O  O16  1  0.809  0.761  0.160  1.0
  O  O17  1  0.695  0.430  0.364  1.0
  O  O18  1  0.758  0.112  0.515  1.0
  O  O19  1  0.177  0.618  0.427  1.0
  O  O20  1  0.268  0.935  0.377  1.0
  O  O21  1  0.610  0.699  0.524  1.0
  O  O22  1  0.353  0.227  0.699  1.0
  O  O23  1  0.897  0.255  0.827  1.0
  O  O24  1  0.191  0.761  0.660  1.0
  O  O25  1  0.305  0.430  0.864  1.0
  O  O26  1  0.823  0.618  0.927  1.0
  O  O27  1  0.732  0.935  0.877  1.0
[/CIF]
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The material described by LiSiBiO4 is Chalcostibite-derived structured and crystallizes in the monoclinic Pc 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(4), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Bi(2)O4 tetrahedra, and corners with three equivalent Si(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and corners with three equivalent Bi(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Bi(2)O4 tetrahedra, and corners with three equivalent Li(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Bi(2)O4 tetrahedra, and corners with three equivalent Li(1)O4 tetrahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(8) atom. In the second Bi site, Bi(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form BiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with three equivalent Li(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Si(2), 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(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Si(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Si(2), one Bi(1), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Si(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), 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(1), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Si(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_LiSiBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.374
_cell_length_b   8.852
_cell_length_c   8.934
_cell_angle_alpha   72.354
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   405.009
_cell_formula_units_Z   4
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  0.331  0.132  0.217  1.0
  Li  Li1  1  0.826  0.644  0.375  1.0
  Li  Li2  1  0.669  0.132  0.717  1.0
  Li  Li3  1  0.174  0.644  0.875  1.0
  Si  Si4  1  0.684  0.751  0.994  1.0
  Si  Si5  1  0.792  0.258  0.347  1.0
  Si  Si6  1  0.316  0.751  0.494  1.0
  Si  Si7  1  0.208  0.258  0.847  1.0
  Bi  Bi8  1  0.842  0.036  0.072  1.0
  Bi  Bi9  1  0.322  0.504  0.256  1.0
  Bi  Bi10  1  0.158  0.036  0.572  1.0
  Bi  Bi11  1  0.678  0.504  0.756  1.0
  O  O12  1  0.242  0.112  0.015  1.0
  O  O13  1  0.390  0.699  0.024  1.0
  O  O14  1  0.647  0.227  0.199  1.0
  O  O15  1  0.103  0.255  0.327  1.0
  O  O16  1  0.809  0.761  0.160  1.0
  O  O17  1  0.695  0.430  0.364  1.0
  O  O18  1  0.758  0.112  0.515  1.0
  O  O19  1  0.177  0.618  0.427  1.0
  O  O20  1  0.268  0.935  0.377  1.0
  O  O21  1  0.610  0.699  0.524  1.0
  O  O22  1  0.353  0.227  0.699  1.0
  O  O23  1  0.897  0.255  0.827  1.0
  O  O24  1  0.191  0.761  0.660  1.0
  O  O25  1  0.305  0.430  0.864  1.0
  O  O26  1  0.823  0.618  0.927  1.0
  O  O27  1  0.732  0.935  0.877  1.0
[/CIF]
.