The material described by LiSiBiO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. Bi(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Si(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar 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 3-coordinate geometry to one Li(1), one Si(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSiBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.956
_cell_length_b   7.278
_cell_length_c   10.655
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   384.315
_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  0.241  0.006  0.157  1.0
  Li  Li1  1  0.741  0.506  0.343  1.0
  Li  Li2  1  0.241  0.494  0.657  1.0
  Li  Li3  1  0.741  0.994  0.843  1.0
  Si  Si4  1  0.748  0.766  0.089  1.0
  Si  Si5  1  0.248  0.266  0.411  1.0
  Si  Si6  1  0.748  0.734  0.589  1.0
  Si  Si7  1  0.248  0.234  0.911  1.0
  Bi  Bi8  1  0.725  0.259  0.122  1.0
  Bi  Bi9  1  0.225  0.759  0.378  1.0
  Bi  Bi10  1  0.725  0.241  0.622  1.0
  Bi  Bi11  1  0.225  0.741  0.878  1.0
  O  O12  1  0.143  0.234  0.060  1.0
  O  O13  1  0.084  0.784  0.072  1.0
  O  O14  1  0.669  0.581  0.166  1.0
  O  O15  1  0.632  0.952  0.157  1.0
  O  O16  1  0.132  0.452  0.343  1.0
  O  O17  1  0.169  0.081  0.334  1.0
  O  O18  1  0.584  0.284  0.428  1.0
  O  O19  1  0.643  0.734  0.440  1.0
  O  O20  1  0.143  0.266  0.560  1.0
  O  O21  1  0.084  0.716  0.572  1.0
  O  O22  1  0.669  0.919  0.666  1.0
  O  O23  1  0.632  0.548  0.657  1.0
  O  O24  1  0.132  0.048  0.843  1.0
  O  O25  1  0.169  0.419  0.834  1.0
  O  O26  1  0.584  0.216  0.928  1.0
  O  O27  1  0.643  0.766  0.940  1.0
[/CIF]
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The material described by LiSiBiO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. Bi(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Si(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar 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 3-coordinate geometry to one Li(1), one Si(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSiBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.956
_cell_length_b   7.278
_cell_length_c   10.655
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   384.315
_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  0.241  0.006  0.157  1.0
  Li  Li1  1  0.741  0.506  0.343  1.0
  Li  Li2  1  0.241  0.494  0.657  1.0
  Li  Li3  1  0.741  0.994  0.843  1.0
  Si  Si4  1  0.748  0.766  0.089  1.0
  Si  Si5  1  0.248  0.266  0.411  1.0
  Si  Si6  1  0.748  0.734  0.589  1.0
  Si  Si7  1  0.248  0.234  0.911  1.0
  Bi  Bi8  1  0.725  0.259  0.122  1.0
  Bi  Bi9  1  0.225  0.759  0.378  1.0
  Bi  Bi10  1  0.725  0.241  0.622  1.0
  Bi  Bi11  1  0.225  0.741  0.878  1.0
  O  O12  1  0.143  0.234  0.060  1.0
  O  O13  1  0.084  0.784  0.072  1.0
  O  O14  1  0.669  0.581  0.166  1.0
  O  O15  1  0.632  0.952  0.157  1.0
  O  O16  1  0.132  0.452  0.343  1.0
  O  O17  1  0.169  0.081  0.334  1.0
  O  O18  1  0.584  0.284  0.428  1.0
  O  O19  1  0.643  0.734  0.440  1.0
  O  O20  1  0.143  0.266  0.560  1.0
  O  O21  1  0.084  0.716  0.572  1.0
  O  O22  1  0.669  0.919  0.666  1.0
  O  O23  1  0.632  0.548  0.657  1.0
  O  O24  1  0.132  0.048  0.843  1.0
  O  O25  1  0.169  0.419  0.834  1.0
  O  O26  1  0.584  0.216  0.928  1.0
  O  O27  1  0.643  0.766  0.940  1.0
[/CIF]
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