The material described by LiSiBiO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with three equivalent Bi(1)O5 square pyramids and  an edgeedge with one Bi(1)O5 square pyramid. Bi(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted BiO5 square pyramids that share corners with two equivalent Bi(1)O5 square pyramids, corners with three equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Si(1), and one Bi(1) atom to form distorted corner-sharing OLi2SiBi trigonal pyramids. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Si(1) and two equivalent Bi(1) atoms. 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. is represented by the CIF file [CIF]
data_LiSiBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.775
_cell_length_b   7.098
_cell_length_c   9.059
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   371.327
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  Si  Si4  1  0.916  0.750  0.678  1.0
  Si  Si5  1  0.584  0.750  0.178  1.0
  Si  Si6  1  0.416  0.250  0.822  1.0
  Si  Si7  1  0.084  0.250  0.322  1.0
  Bi  Bi8  1  0.867  0.250  0.656  1.0
  Bi  Bi9  1  0.633  0.250  0.156  1.0
  Bi  Bi10  1  0.367  0.750  0.844  1.0
  Bi  Bi11  1  0.133  0.750  0.344  1.0
  O  O12  1  0.012  0.250  0.144  1.0
  O  O13  1  0.678  0.250  0.905  1.0
  O  O14  1  0.735  0.936  0.134  1.0
  O  O15  1  0.735  0.564  0.134  1.0
  O  O16  1  0.765  0.936  0.634  1.0
  O  O17  1  0.765  0.564  0.634  1.0
  O  O18  1  0.822  0.250  0.405  1.0
  O  O19  1  0.488  0.250  0.644  1.0
  O  O20  1  0.512  0.750  0.356  1.0
  O  O21  1  0.178  0.750  0.595  1.0
  O  O22  1  0.265  0.436  0.866  1.0
  O  O23  1  0.265  0.064  0.866  1.0
  O  O24  1  0.235  0.064  0.366  1.0
  O  O25  1  0.235  0.436  0.366  1.0
  O  O26  1  0.988  0.750  0.856  1.0
  O  O27  1  0.322  0.750  0.095  1.0
[/CIF]
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The material described by LiSiBiO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with three equivalent Bi(1)O5 square pyramids and  an edgeedge with one Bi(1)O5 square pyramid. Bi(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted BiO5 square pyramids that share corners with two equivalent Bi(1)O5 square pyramids, corners with three equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Si(1), and one Bi(1) atom to form distorted corner-sharing OLi2SiBi trigonal pyramids. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Si(1) and two equivalent Bi(1) atoms. 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. is represented by the CIF file [CIF]
data_LiSiBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.775
_cell_length_b   7.098
_cell_length_c   9.059
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   371.327
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  Si  Si4  1  0.916  0.750  0.678  1.0
  Si  Si5  1  0.584  0.750  0.178  1.0
  Si  Si6  1  0.416  0.250  0.822  1.0
  Si  Si7  1  0.084  0.250  0.322  1.0
  Bi  Bi8  1  0.867  0.250  0.656  1.0
  Bi  Bi9  1  0.633  0.250  0.156  1.0
  Bi  Bi10  1  0.367  0.750  0.844  1.0
  Bi  Bi11  1  0.133  0.750  0.344  1.0
  O  O12  1  0.012  0.250  0.144  1.0
  O  O13  1  0.678  0.250  0.905  1.0
  O  O14  1  0.735  0.936  0.134  1.0
  O  O15  1  0.735  0.564  0.134  1.0
  O  O16  1  0.765  0.936  0.634  1.0
  O  O17  1  0.765  0.564  0.634  1.0
  O  O18  1  0.822  0.250  0.405  1.0
  O  O19  1  0.488  0.250  0.644  1.0
  O  O20  1  0.512  0.750  0.356  1.0
  O  O21  1  0.178  0.750  0.595  1.0
  O  O22  1  0.265  0.436  0.866  1.0
  O  O23  1  0.265  0.064  0.866  1.0
  O  O24  1  0.235  0.064  0.366  1.0
  O  O25  1  0.235  0.436  0.366  1.0
  O  O26  1  0.988  0.750  0.856  1.0
  O  O27  1  0.322  0.750  0.095  1.0
[/CIF]
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