The structure described by LiSiBiO4 crystallizes in the trigonal P31c space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form LiO4 trigonal pyramids that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(2) and three equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 trigonal pyramids. Bi(1) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. There are two 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 linear geometry to one Li(1) and one Si(1) atom. is represented by the CIF card [CIF]
data_LiSiBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.135
_cell_length_b   5.135
_cell_length_c   8.753
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   199.878
_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  0.333  0.667  0.055  1.0
  Li  Li1  1  0.667  0.333  0.555  1.0
  Si  Si2  1  0.333  0.667  0.454  1.0
  Si  Si3  1  0.667  0.333  0.954  1.0
  Bi  Bi4  1  0.000  0.000  0.175  1.0
  Bi  Bi5  1  0.000  0.000  0.675  1.0
  O  O6  1  0.048  0.698  0.519  1.0
  O  O7  1  0.333  0.667  0.270  1.0
  O  O8  1  0.651  0.952  0.519  1.0
  O  O9  1  0.302  0.349  0.519  1.0
  O  O10  1  0.349  0.302  0.019  1.0
  O  O11  1  0.667  0.333  0.770  1.0
  O  O12  1  0.698  0.048  0.019  1.0
  O  O13  1  0.952  0.651  0.019  1.0
[/CIF]
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The structure described by LiSiBiO4 crystallizes in the trigonal P31c space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form LiO4 trigonal pyramids that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(2) and three equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 trigonal pyramids. Bi(1) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. There are two 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 linear geometry to one Li(1) and one Si(1) atom. is represented by the CIF card [CIF]
data_LiSiBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.135
_cell_length_b   5.135
_cell_length_c   8.753
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   199.878
_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  0.333  0.667  0.055  1.0
  Li  Li1  1  0.667  0.333  0.555  1.0
  Si  Si2  1  0.333  0.667  0.454  1.0
  Si  Si3  1  0.667  0.333  0.954  1.0
  Bi  Bi4  1  0.000  0.000  0.175  1.0
  Bi  Bi5  1  0.000  0.000  0.675  1.0
  O  O6  1  0.048  0.698  0.519  1.0
  O  O7  1  0.333  0.667  0.270  1.0
  O  O8  1  0.651  0.952  0.519  1.0
  O  O9  1  0.302  0.349  0.519  1.0
  O  O10  1  0.349  0.302  0.019  1.0
  O  O11  1  0.667  0.333  0.770  1.0
  O  O12  1  0.698  0.048  0.019  1.0
  O  O13  1  0.952  0.651  0.019  1.0
[/CIF]
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