The crystal structure described by LiSiBiO4 is Chalcostibite-derived structured and crystallizes in the trigonal R-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 trigonal pyramids that share corners with three equivalent Bi(1)O5 square pyramids, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Bi(1)O5 square pyramid. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with two equivalent Bi(1)O5 square pyramids, corners with two equivalent Si(1)O4 tetrahedra, and corners with four equivalent Li(1)O4 trigonal pyramids. Bi(1) is bonded to one O(2), one O(3), and three equivalent O(4) atoms to form BiO5 square pyramids that share corners with two equivalent Bi(1)O5 square pyramids, corners with two equivalent Si(1)O4 tetrahedra, corners with three equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Bi(1)O5 square pyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(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 Si(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_LiSiBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.675
_cell_length_b   8.675
_cell_length_c   8.675
_cell_angle_alpha   103.175
_cell_angle_beta   103.175
_cell_angle_gamma   103.175
_symmetry_Int_Tables_number   1
_cell_volume   591.389
_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  0.440  0.036  0.189  1.0
  Li  Li1  1  0.811  0.560  0.964  1.0
  Li  Li2  1  0.964  0.811  0.560  1.0
  Li  Li3  1  0.036  0.189  0.440  1.0
  Li  Li4  1  0.189  0.440  0.036  1.0
  Li  Li5  1  0.560  0.964  0.811  1.0
  Si  Si6  1  0.913  0.145  0.746  1.0
  Si  Si7  1  0.855  0.254  0.087  1.0
  Si  Si8  1  0.254  0.087  0.855  1.0
  Si  Si9  1  0.746  0.913  0.145  1.0
  Si  Si10  1  0.145  0.746  0.913  1.0
  Si  Si11  1  0.087  0.855  0.254  1.0
  Bi  Bi12  1  0.811  0.456  0.556  1.0
  Bi  Bi13  1  0.444  0.189  0.544  1.0
  Bi  Bi14  1  0.544  0.444  0.189  1.0
  Bi  Bi15  1  0.456  0.556  0.811  1.0
  Bi  Bi16  1  0.556  0.811  0.456  1.0
  Bi  Bi17  1  0.189  0.544  0.444  1.0
  O  O18  1  0.955  0.262  0.942  1.0
  O  O19  1  0.738  0.058  0.045  1.0
  O  O20  1  0.930  0.257  0.621  1.0
  O  O21  1  0.743  0.379  0.070  1.0
  O  O22  1  0.010  0.693  0.732  1.0
  O  O23  1  0.558  0.280  0.335  1.0
  O  O24  1  0.379  0.070  0.743  1.0
  O  O25  1  0.665  0.442  0.720  1.0
  O  O26  1  0.268  0.990  0.307  1.0
  O  O27  1  0.307  0.268  0.990  1.0
  O  O28  1  0.720  0.665  0.442  1.0
  O  O29  1  0.058  0.045  0.738  1.0
  O  O30  1  0.942  0.955  0.262  1.0
  O  O31  1  0.280  0.335  0.558  1.0
  O  O32  1  0.693  0.732  0.010  1.0
  O  O33  1  0.732  0.010  0.693  1.0
  O  O34  1  0.335  0.558  0.280  1.0
  O  O35  1  0.621  0.930  0.257  1.0
  O  O36  1  0.442  0.720  0.665  1.0
  O  O37  1  0.990  0.307  0.268  1.0
  O  O38  1  0.257  0.621  0.930  1.0
  O  O39  1  0.070  0.743  0.379  1.0
  O  O40  1  0.262  0.942  0.955  1.0
  O  O41  1  0.045  0.738  0.058  1.0
[/CIF]
.
The crystal structure described by LiSiBiO4 is Chalcostibite-derived structured and crystallizes in the trigonal R-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 trigonal pyramids that share corners with three equivalent Bi(1)O5 square pyramids, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Bi(1)O5 square pyramid. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with two equivalent Bi(1)O5 square pyramids, corners with two equivalent Si(1)O4 tetrahedra, and corners with four equivalent Li(1)O4 trigonal pyramids. Bi(1) is bonded to one O(2), one O(3), and three equivalent O(4) atoms to form BiO5 square pyramids that share corners with two equivalent Bi(1)O5 square pyramids, corners with two equivalent Si(1)O4 tetrahedra, corners with three equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Bi(1)O5 square pyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(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 Si(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_LiSiBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.675
_cell_length_b   8.675
_cell_length_c   8.675
_cell_angle_alpha   103.175
_cell_angle_beta   103.175
_cell_angle_gamma   103.175
_symmetry_Int_Tables_number   1
_cell_volume   591.389
_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  0.440  0.036  0.189  1.0
  Li  Li1  1  0.811  0.560  0.964  1.0
  Li  Li2  1  0.964  0.811  0.560  1.0
  Li  Li3  1  0.036  0.189  0.440  1.0
  Li  Li4  1  0.189  0.440  0.036  1.0
  Li  Li5  1  0.560  0.964  0.811  1.0
  Si  Si6  1  0.913  0.145  0.746  1.0
  Si  Si7  1  0.855  0.254  0.087  1.0
  Si  Si8  1  0.254  0.087  0.855  1.0
  Si  Si9  1  0.746  0.913  0.145  1.0
  Si  Si10  1  0.145  0.746  0.913  1.0
  Si  Si11  1  0.087  0.855  0.254  1.0
  Bi  Bi12  1  0.811  0.456  0.556  1.0
  Bi  Bi13  1  0.444  0.189  0.544  1.0
  Bi  Bi14  1  0.544  0.444  0.189  1.0
  Bi  Bi15  1  0.456  0.556  0.811  1.0
  Bi  Bi16  1  0.556  0.811  0.456  1.0
  Bi  Bi17  1  0.189  0.544  0.444  1.0
  O  O18  1  0.955  0.262  0.942  1.0
  O  O19  1  0.738  0.058  0.045  1.0
  O  O20  1  0.930  0.257  0.621  1.0
  O  O21  1  0.743  0.379  0.070  1.0
  O  O22  1  0.010  0.693  0.732  1.0
  O  O23  1  0.558  0.280  0.335  1.0
  O  O24  1  0.379  0.070  0.743  1.0
  O  O25  1  0.665  0.442  0.720  1.0
  O  O26  1  0.268  0.990  0.307  1.0
  O  O27  1  0.307  0.268  0.990  1.0
  O  O28  1  0.720  0.665  0.442  1.0
  O  O29  1  0.058  0.045  0.738  1.0
  O  O30  1  0.942  0.955  0.262  1.0
  O  O31  1  0.280  0.335  0.558  1.0
  O  O32  1  0.693  0.732  0.010  1.0
  O  O33  1  0.732  0.010  0.693  1.0
  O  O34  1  0.335  0.558  0.280  1.0
  O  O35  1  0.621  0.930  0.257  1.0
  O  O36  1  0.442  0.720  0.665  1.0
  O  O37  1  0.990  0.307  0.268  1.0
  O  O38  1  0.257  0.621  0.930  1.0
  O  O39  1  0.070  0.743  0.379  1.0
  O  O40  1  0.262  0.942  0.955  1.0
  O  O41  1  0.045  0.738  0.058  1.0
[/CIF]
.