The crystal structure described by Li6Bi5O14 crystallizes in the orthorhombic Cmc2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Bi(1)O6 octahedra, and  an edgeedge with one Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-62°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Bi(2)O6 octahedra, corners with three equivalent Bi(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-60°. In the third Li site, Li(3) is bonded to one O(6), one O(9), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the fourth Li site, Li(4) is bonded to one O(6), one O(8), and two equivalent O(5) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with four equivalent Bi(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 39-68°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(9) atom to form distorted BiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Bi(1)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Bi site, Bi(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form BiO6 octahedra that share  a cornercorner with one Bi(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, edges with two equivalent Bi(1)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 46°. In the third Bi site, Bi(3) is bonded in a distorted trigonal non-coplanar geometry to one O(7) and two equivalent O(5) atoms. There are nine inequivalent O sites. In the first O site, O(8) is bonded in a trigonal planar geometry to one Li(4) and two equivalent Bi(2) atoms. In the second O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3) and two equivalent Bi(1) atoms. In the third O site, O(1) is bonded to one Li(1), one Li(3), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OLi2Bi2 tetrahedra. In the fourth O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Bi(1), and one Bi(2) atom. In the fifth O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Bi(1), and one Bi(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Bi(1), and one Bi(2) atom. In the seventh O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one Bi(2), and one Bi(3) atom. In the eighth O site, O(6) is bonded to one Li(3), one Li(4), and two equivalent Bi(1) atoms to form distorted edge-sharing OLi2Bi2 trigonal pyramids. In the ninth O site, O(7) is bonded in a trigonal non-coplanar geometry to two equivalent Li(2) and one Bi(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Bi5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.203
_cell_length_b   8.203
_cell_length_c   10.667
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.336
_symmetry_Int_Tables_number   1
_cell_volume   714.595
_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  0.185  0.354  0.976  1.0
  Li  Li1  1  0.354  0.185  0.476  1.0
  Li  Li2  1  0.204  0.505  0.511  1.0
  Li  Li3  1  0.505  0.204  0.011  1.0
  Li  Li4  1  0.994  0.006  0.956  1.0
  Li  Li5  1  0.728  0.272  0.433  1.0
  Li  Li6  1  0.272  0.728  0.933  1.0
  Li  Li7  1  0.006  0.994  0.456  1.0
  Li  Li8  1  0.796  0.495  0.011  1.0
  Li  Li9  1  0.495  0.796  0.511  1.0
  Li  Li10  1  0.646  0.815  0.976  1.0
  Li  Li11  1  0.815  0.646  0.476  1.0
  Bi  Bi12  1  0.065  0.238  0.235  1.0
  Bi  Bi13  1  0.238  0.065  0.735  1.0
  Bi  Bi14  1  0.001  0.628  0.230  1.0
  Bi  Bi15  1  0.628  0.001  0.730  1.0
  Bi  Bi16  1  0.538  0.462  0.247  1.0
  Bi  Bi17  1  0.462  0.538  0.747  1.0
  Bi  Bi18  1  0.372  0.999  0.230  1.0
  Bi  Bi19  1  0.999  0.372  0.730  1.0
  Bi  Bi20  1  0.935  0.762  0.735  1.0
  Bi  Bi21  1  0.762  0.935  0.235  1.0
  O  O22  1  0.192  0.081  0.359  1.0
  O  O23  1  0.081  0.192  0.859  1.0
  O  O24  1  0.200  0.275  0.618  1.0
  O  O25  1  0.275  0.200  0.118  1.0
  O  O26  1  0.576  0.994  0.097  1.0
  O  O27  1  0.994  0.576  0.597  1.0
  O  O28  1  0.146  0.458  0.336  1.0
  O  O29  1  0.458  0.146  0.836  1.0
  O  O30  1  0.513  0.215  0.333  1.0
  O  O31  1  0.215  0.513  0.833  1.0
  O  O32  1  0.134  0.866  0.856  1.0
  O  O33  1  0.589  0.411  0.063  1.0
  O  O34  1  0.222  0.778  0.160  1.0
  O  O35  1  0.866  0.134  0.356  1.0
  O  O36  1  0.060  0.940  0.619  1.0
  O  O37  1  0.778  0.222  0.660  1.0
  O  O38  1  0.411  0.589  0.563  1.0
  O  O39  1  0.940  0.060  0.119  1.0
  O  O40  1  0.785  0.487  0.333  1.0
  O  O41  1  0.487  0.785  0.833  1.0
  O  O42  1  0.854  0.542  0.836  1.0
  O  O43  1  0.542  0.854  0.336  1.0
  O  O44  1  0.006  0.424  0.097  1.0
  O  O45  1  0.424  0.006  0.597  1.0
  O  O46  1  0.800  0.725  0.118  1.0
  O  O47  1  0.725  0.800  0.618  1.0
  O  O48  1  0.919  0.808  0.359  1.0
  O  O49  1  0.808  0.919  0.859  1.0
[/CIF]
.
The crystal structure described by Li6Bi5O14 crystallizes in the orthorhombic Cmc2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Bi(1)O6 octahedra, and  an edgeedge with one Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-62°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Bi(2)O6 octahedra, corners with three equivalent Bi(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-60°. In the third Li site, Li(3) is bonded to one O(6), one O(9), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the fourth Li site, Li(4) is bonded to one O(6), one O(8), and two equivalent O(5) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with four equivalent Bi(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 39-68°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(9) atom to form distorted BiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Bi(1)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Bi site, Bi(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form BiO6 octahedra that share  a cornercorner with one Bi(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, edges with two equivalent Bi(1)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 46°. In the third Bi site, Bi(3) is bonded in a distorted trigonal non-coplanar geometry to one O(7) and two equivalent O(5) atoms. There are nine inequivalent O sites. In the first O site, O(8) is bonded in a trigonal planar geometry to one Li(4) and two equivalent Bi(2) atoms. In the second O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3) and two equivalent Bi(1) atoms. In the third O site, O(1) is bonded to one Li(1), one Li(3), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OLi2Bi2 tetrahedra. In the fourth O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Bi(1), and one Bi(2) atom. In the fifth O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Bi(1), and one Bi(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Bi(1), and one Bi(2) atom. In the seventh O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one Bi(2), and one Bi(3) atom. In the eighth O site, O(6) is bonded to one Li(3), one Li(4), and two equivalent Bi(1) atoms to form distorted edge-sharing OLi2Bi2 trigonal pyramids. In the ninth O site, O(7) is bonded in a trigonal non-coplanar geometry to two equivalent Li(2) and one Bi(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Bi5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.203
_cell_length_b   8.203
_cell_length_c   10.667
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.336
_symmetry_Int_Tables_number   1
_cell_volume   714.595
_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  0.185  0.354  0.976  1.0
  Li  Li1  1  0.354  0.185  0.476  1.0
  Li  Li2  1  0.204  0.505  0.511  1.0
  Li  Li3  1  0.505  0.204  0.011  1.0
  Li  Li4  1  0.994  0.006  0.956  1.0
  Li  Li5  1  0.728  0.272  0.433  1.0
  Li  Li6  1  0.272  0.728  0.933  1.0
  Li  Li7  1  0.006  0.994  0.456  1.0
  Li  Li8  1  0.796  0.495  0.011  1.0
  Li  Li9  1  0.495  0.796  0.511  1.0
  Li  Li10  1  0.646  0.815  0.976  1.0
  Li  Li11  1  0.815  0.646  0.476  1.0
  Bi  Bi12  1  0.065  0.238  0.235  1.0
  Bi  Bi13  1  0.238  0.065  0.735  1.0
  Bi  Bi14  1  0.001  0.628  0.230  1.0
  Bi  Bi15  1  0.628  0.001  0.730  1.0
  Bi  Bi16  1  0.538  0.462  0.247  1.0
  Bi  Bi17  1  0.462  0.538  0.747  1.0
  Bi  Bi18  1  0.372  0.999  0.230  1.0
  Bi  Bi19  1  0.999  0.372  0.730  1.0
  Bi  Bi20  1  0.935  0.762  0.735  1.0
  Bi  Bi21  1  0.762  0.935  0.235  1.0
  O  O22  1  0.192  0.081  0.359  1.0
  O  O23  1  0.081  0.192  0.859  1.0
  O  O24  1  0.200  0.275  0.618  1.0
  O  O25  1  0.275  0.200  0.118  1.0
  O  O26  1  0.576  0.994  0.097  1.0
  O  O27  1  0.994  0.576  0.597  1.0
  O  O28  1  0.146  0.458  0.336  1.0
  O  O29  1  0.458  0.146  0.836  1.0
  O  O30  1  0.513  0.215  0.333  1.0
  O  O31  1  0.215  0.513  0.833  1.0
  O  O32  1  0.134  0.866  0.856  1.0
  O  O33  1  0.589  0.411  0.063  1.0
  O  O34  1  0.222  0.778  0.160  1.0
  O  O35  1  0.866  0.134  0.356  1.0
  O  O36  1  0.060  0.940  0.619  1.0
  O  O37  1  0.778  0.222  0.660  1.0
  O  O38  1  0.411  0.589  0.563  1.0
  O  O39  1  0.940  0.060  0.119  1.0
  O  O40  1  0.785  0.487  0.333  1.0
  O  O41  1  0.487  0.785  0.833  1.0
  O  O42  1  0.854  0.542  0.836  1.0
  O  O43  1  0.542  0.854  0.336  1.0
  O  O44  1  0.006  0.424  0.097  1.0
  O  O45  1  0.424  0.006  0.597  1.0
  O  O46  1  0.800  0.725  0.118  1.0
  O  O47  1  0.725  0.800  0.618  1.0
  O  O48  1  0.919  0.808  0.359  1.0
  O  O49  1  0.808  0.919  0.859  1.0
[/CIF]
.