The material structure described by LiCBiSO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), and one O(3) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Bi(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted BiO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-68°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one C(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one C(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Bi(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Bi(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Bi(1) and one S(1) atom. is represented by the CIF file [CIF]
data_LiBiCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.972
_cell_length_b   5.445
_cell_length_c   9.210
_cell_angle_alpha   89.148
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.590
_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  0.500  0.269  0.825  1.0
  Li  Li1  1  0.000  0.731  0.175  1.0
  Bi  Bi2  1  0.753  0.777  0.647  1.0
  Bi  Bi3  1  0.253  0.223  0.353  1.0
  C  C4  1  0.735  0.721  0.935  1.0
  C  C5  1  0.235  0.280  0.065  1.0
  S  S6  1  0.260  0.725  0.593  1.0
  S  S7  1  0.760  0.275  0.407  1.0
  O  O8  1  0.274  0.307  0.934  1.0
  O  O9  1  0.737  0.940  0.867  1.0
  O  O10  1  0.694  0.535  0.847  1.0
  O  O11  1  0.088  0.796  0.679  1.0
  O  O12  1  0.423  0.879  0.648  1.0
  O  O13  1  0.729  0.215  0.566  1.0
  O  O14  1  0.304  0.461  0.607  1.0
  O  O15  1  0.804  0.539  0.393  1.0
  O  O16  1  0.229  0.785  0.434  1.0
  O  O17  1  0.923  0.121  0.352  1.0
  O  O18  1  0.588  0.204  0.321  1.0
  O  O19  1  0.194  0.465  0.153  1.0
  O  O20  1  0.237  0.060  0.133  1.0
  O  O21  1  0.774  0.693  0.066  1.0
[/CIF]
.
The material structure described by LiCBiSO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), and one O(3) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Bi(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted BiO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-68°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one C(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one C(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Bi(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Bi(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Bi(1) and one S(1) atom. is represented by the CIF file [CIF]
data_LiBiCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.972
_cell_length_b   5.445
_cell_length_c   9.210
_cell_angle_alpha   89.148
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.590
_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  0.500  0.269  0.825  1.0
  Li  Li1  1  0.000  0.731  0.175  1.0
  Bi  Bi2  1  0.753  0.777  0.647  1.0
  Bi  Bi3  1  0.253  0.223  0.353  1.0
  C  C4  1  0.735  0.721  0.935  1.0
  C  C5  1  0.235  0.280  0.065  1.0
  S  S6  1  0.260  0.725  0.593  1.0
  S  S7  1  0.760  0.275  0.407  1.0
  O  O8  1  0.274  0.307  0.934  1.0
  O  O9  1  0.737  0.940  0.867  1.0
  O  O10  1  0.694  0.535  0.847  1.0
  O  O11  1  0.088  0.796  0.679  1.0
  O  O12  1  0.423  0.879  0.648  1.0
  O  O13  1  0.729  0.215  0.566  1.0
  O  O14  1  0.304  0.461  0.607  1.0
  O  O15  1  0.804  0.539  0.393  1.0
  O  O16  1  0.229  0.785  0.434  1.0
  O  O17  1  0.923  0.121  0.352  1.0
  O  O18  1  0.588  0.204  0.321  1.0
  O  O19  1  0.194  0.465  0.153  1.0
  O  O20  1  0.237  0.060  0.133  1.0
  O  O21  1  0.774  0.693  0.066  1.0
[/CIF]
.