The material structure described by Li2B3Bi5O13 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(7), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(1), one O(9), and three equivalent O(10) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Bi(5)O6 octahedra,  a cornercorner with one Bi(1)O7 pentagonal bipyramid, corners with two equivalent Li(2)O5 trigonal bipyramids, edges with two equivalent Bi(1)O7 pentagonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 27°. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(7) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(9) atom. There are five inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(10), one O(11), two equivalent O(1), and three equivalent O(8) atoms to form distorted BiO7 pentagonal bipyramids that share  a cornercorner with one Li(2)O5 trigonal bipyramid, edges with four equivalent Bi(1)O7 pentagonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. In the second Bi site, Bi(2) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form distorted BiO6 octahedra that share edges with two equivalent Bi(2)O6 octahedra and edges with two equivalent Bi(4)O7 pentagonal bipyramids. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one O(12), one O(5), one O(8), two equivalent O(11), and two equivalent O(4) atoms. In the fourth Bi site, Bi(4) is bonded to one O(12), one O(5), two equivalent O(6), and three equivalent O(13) atoms to form distorted BiO7 pentagonal bipyramids that share  a cornercorner with one Bi(5)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, edges with two equivalent Bi(5)O6 octahedra, and edges with four equivalent Bi(4)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 54°. In the fifth Bi site, Bi(5) is bonded to one O(13), one O(9), two equivalent O(12), and two equivalent O(7) atoms to form distorted BiO6 octahedra that share  a cornercorner with one Bi(4)O7 pentagonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, edges with two equivalent Bi(5)O6 octahedra, and edges with two equivalent Bi(4)O7 pentagonal bipyramids. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one B(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one B(2), and two equivalent Bi(2) atoms. In the third O site, O(3) is bonded to two equivalent Li(1), one B(1), and one Bi(2) atom to form distorted OLi2BiB tetrahedra that share corners with two equivalent O(5)Bi4 tetrahedra and corners with two equivalent O(3)Li2BiB tetrahedra. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(3) atoms. In the fifth O site, O(5) is bonded to one Bi(3), one Bi(4), and two equivalent Bi(2) atoms to form OBi4 tetrahedra that share  a cornercorner with one O(8)Bi4 tetrahedra, corners with two equivalent O(5)Bi4 tetrahedra, corners with two equivalent O(3)Li2BiB tetrahedra, corners with three equivalent O(13)Bi4 tetrahedra, and  an edgeedge with one O(12)Bi4 tetrahedra. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one B(2), one Bi(2), and two equivalent Bi(4) atoms. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Li(1), one B(2), and two equivalent Bi(5) atoms. In the eighth O site, O(8) is bonded to one Bi(3) and three equivalent Bi(1) atoms to form OBi4 tetrahedra that share  a cornercorner with one O(12)Bi4 tetrahedra,  a cornercorner with one O(5)Bi4 tetrahedra, corners with two equivalent O(8)Bi4 tetrahedra, corners with three equivalent O(10)Li3BiB trigonal bipyramids, and edges with two equivalent O(8)Bi4 tetrahedra. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one B(3), and one Bi(5) atom. In the tenth O site, O(10) is bonded to three equivalent Li(2), one B(3), and one Bi(1) atom to form distorted OLi3BiB trigonal bipyramids that share corners with three equivalent O(8)Bi4 tetrahedra, corners with two equivalent O(10)Li3BiB trigonal bipyramids, and edges with two equivalent O(10)Li3BiB trigonal bipyramids. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one B(3), one Bi(1), and two equivalent Bi(3) atoms. In the twelfth O site, O(12) is bonded to one Bi(3), one Bi(4), and two equivalent Bi(5) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the thirteenth O site, O(13) is bonded to one Bi(5) and three equivalent Bi(4) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. is represented by the CIF card [CIF]
data_Li2Bi5B3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.730
_cell_length_b   10.760
_cell_length_c   16.397
_cell_angle_alpha   76.205
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   639.171
_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  0.750  0.787  0.732  1.0
  Li  Li1  1  0.250  0.610  0.945  1.0
  Li  Li2  1  0.750  0.390  0.055  1.0
  Li  Li3  1  0.250  0.213  0.268  1.0
  Bi  Bi4  1  0.750  0.852  0.994  1.0
  Bi  Bi5  1  0.750  0.966  0.376  1.0
  Bi  Bi6  1  0.250  0.817  0.200  1.0
  Bi  Bi7  1  0.250  0.641  0.438  1.0
  Bi  Bi8  1  0.250  0.529  0.702  1.0
  Bi  Bi9  1  0.750  0.471  0.298  1.0
  Bi  Bi10  1  0.750  0.359  0.562  1.0
  Bi  Bi11  1  0.750  0.183  0.800  1.0
  Bi  Bi12  1  0.250  0.034  0.624  1.0
  Bi  Bi13  1  0.250  0.148  0.006  1.0
  B  B14  1  0.250  0.905  0.816  1.0
  B  B15  1  0.750  0.785  0.577  1.0
  B  B16  1  0.250  0.405  0.897  1.0
  B  B17  1  0.750  0.595  0.103  1.0
  B  B18  1  0.250  0.215  0.423  1.0
  B  B19  1  0.750  0.095  0.184  1.0
  O  O20  1  0.250  0.824  0.894  1.0
  O  O21  1  0.750  0.911  0.585  1.0
  O  O22  1  0.250  0.856  0.744  1.0
  O  O23  1  0.750  0.960  0.198  1.0
  O  O24  1  0.250  0.861  0.338  1.0
  O  O25  1  0.750  0.761  0.497  1.0
  O  O26  1  0.750  0.687  0.650  1.0
  O  O27  1  0.250  0.917  0.059  1.0
  O  O28  1  0.250  0.526  0.847  1.0
  O  O29  1  0.250  0.382  0.984  1.0
  O  O30  1  0.750  0.707  0.137  1.0
  O  O31  1  0.250  0.603  0.296  1.0
  O  O32  1  0.250  0.485  0.569  1.0
  O  O33  1  0.750  0.515  0.431  1.0
  O  O34  1  0.750  0.397  0.704  1.0
  O  O35  1  0.250  0.293  0.863  1.0
  O  O36  1  0.750  0.618  0.016  1.0
  O  O37  1  0.750  0.474  0.153  1.0
  O  O38  1  0.750  0.083  0.941  1.0
  O  O39  1  0.250  0.313  0.350  1.0
  O  O40  1  0.250  0.239  0.503  1.0
  O  O41  1  0.750  0.139  0.662  1.0
  O  O42  1  0.250  0.040  0.802  1.0
  O  O43  1  0.750  0.144  0.256  1.0
  O  O44  1  0.250  0.089  0.415  1.0
  O  O45  1  0.750  0.176  0.106  1.0
[/CIF]
.
The material structure described by Li2B3Bi5O13 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(7), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(1), one O(9), and three equivalent O(10) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Bi(5)O6 octahedra,  a cornercorner with one Bi(1)O7 pentagonal bipyramid, corners with two equivalent Li(2)O5 trigonal bipyramids, edges with two equivalent Bi(1)O7 pentagonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 27°. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(7) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(9) atom. There are five inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(10), one O(11), two equivalent O(1), and three equivalent O(8) atoms to form distorted BiO7 pentagonal bipyramids that share  a cornercorner with one Li(2)O5 trigonal bipyramid, edges with four equivalent Bi(1)O7 pentagonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. In the second Bi site, Bi(2) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form distorted BiO6 octahedra that share edges with two equivalent Bi(2)O6 octahedra and edges with two equivalent Bi(4)O7 pentagonal bipyramids. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one O(12), one O(5), one O(8), two equivalent O(11), and two equivalent O(4) atoms. In the fourth Bi site, Bi(4) is bonded to one O(12), one O(5), two equivalent O(6), and three equivalent O(13) atoms to form distorted BiO7 pentagonal bipyramids that share  a cornercorner with one Bi(5)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, edges with two equivalent Bi(5)O6 octahedra, and edges with four equivalent Bi(4)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 54°. In the fifth Bi site, Bi(5) is bonded to one O(13), one O(9), two equivalent O(12), and two equivalent O(7) atoms to form distorted BiO6 octahedra that share  a cornercorner with one Bi(4)O7 pentagonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, edges with two equivalent Bi(5)O6 octahedra, and edges with two equivalent Bi(4)O7 pentagonal bipyramids. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one B(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one B(2), and two equivalent Bi(2) atoms. In the third O site, O(3) is bonded to two equivalent Li(1), one B(1), and one Bi(2) atom to form distorted OLi2BiB tetrahedra that share corners with two equivalent O(5)Bi4 tetrahedra and corners with two equivalent O(3)Li2BiB tetrahedra. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(3) atoms. In the fifth O site, O(5) is bonded to one Bi(3), one Bi(4), and two equivalent Bi(2) atoms to form OBi4 tetrahedra that share  a cornercorner with one O(8)Bi4 tetrahedra, corners with two equivalent O(5)Bi4 tetrahedra, corners with two equivalent O(3)Li2BiB tetrahedra, corners with three equivalent O(13)Bi4 tetrahedra, and  an edgeedge with one O(12)Bi4 tetrahedra. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one B(2), one Bi(2), and two equivalent Bi(4) atoms. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Li(1), one B(2), and two equivalent Bi(5) atoms. In the eighth O site, O(8) is bonded to one Bi(3) and three equivalent Bi(1) atoms to form OBi4 tetrahedra that share  a cornercorner with one O(12)Bi4 tetrahedra,  a cornercorner with one O(5)Bi4 tetrahedra, corners with two equivalent O(8)Bi4 tetrahedra, corners with three equivalent O(10)Li3BiB trigonal bipyramids, and edges with two equivalent O(8)Bi4 tetrahedra. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one B(3), and one Bi(5) atom. In the tenth O site, O(10) is bonded to three equivalent Li(2), one B(3), and one Bi(1) atom to form distorted OLi3BiB trigonal bipyramids that share corners with three equivalent O(8)Bi4 tetrahedra, corners with two equivalent O(10)Li3BiB trigonal bipyramids, and edges with two equivalent O(10)Li3BiB trigonal bipyramids. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one B(3), one Bi(1), and two equivalent Bi(3) atoms. In the twelfth O site, O(12) is bonded to one Bi(3), one Bi(4), and two equivalent Bi(5) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the thirteenth O site, O(13) is bonded to one Bi(5) and three equivalent Bi(4) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. is represented by the CIF card [CIF]
data_Li2Bi5B3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.730
_cell_length_b   10.760
_cell_length_c   16.397
_cell_angle_alpha   76.205
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   639.171
_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  0.750  0.787  0.732  1.0
  Li  Li1  1  0.250  0.610  0.945  1.0
  Li  Li2  1  0.750  0.390  0.055  1.0
  Li  Li3  1  0.250  0.213  0.268  1.0
  Bi  Bi4  1  0.750  0.852  0.994  1.0
  Bi  Bi5  1  0.750  0.966  0.376  1.0
  Bi  Bi6  1  0.250  0.817  0.200  1.0
  Bi  Bi7  1  0.250  0.641  0.438  1.0
  Bi  Bi8  1  0.250  0.529  0.702  1.0
  Bi  Bi9  1  0.750  0.471  0.298  1.0
  Bi  Bi10  1  0.750  0.359  0.562  1.0
  Bi  Bi11  1  0.750  0.183  0.800  1.0
  Bi  Bi12  1  0.250  0.034  0.624  1.0
  Bi  Bi13  1  0.250  0.148  0.006  1.0
  B  B14  1  0.250  0.905  0.816  1.0
  B  B15  1  0.750  0.785  0.577  1.0
  B  B16  1  0.250  0.405  0.897  1.0
  B  B17  1  0.750  0.595  0.103  1.0
  B  B18  1  0.250  0.215  0.423  1.0
  B  B19  1  0.750  0.095  0.184  1.0
  O  O20  1  0.250  0.824  0.894  1.0
  O  O21  1  0.750  0.911  0.585  1.0
  O  O22  1  0.250  0.856  0.744  1.0
  O  O23  1  0.750  0.960  0.198  1.0
  O  O24  1  0.250  0.861  0.338  1.0
  O  O25  1  0.750  0.761  0.497  1.0
  O  O26  1  0.750  0.687  0.650  1.0
  O  O27  1  0.250  0.917  0.059  1.0
  O  O28  1  0.250  0.526  0.847  1.0
  O  O29  1  0.250  0.382  0.984  1.0
  O  O30  1  0.750  0.707  0.137  1.0
  O  O31  1  0.250  0.603  0.296  1.0
  O  O32  1  0.250  0.485  0.569  1.0
  O  O33  1  0.750  0.515  0.431  1.0
  O  O34  1  0.750  0.397  0.704  1.0
  O  O35  1  0.250  0.293  0.863  1.0
  O  O36  1  0.750  0.618  0.016  1.0
  O  O37  1  0.750  0.474  0.153  1.0
  O  O38  1  0.750  0.083  0.941  1.0
  O  O39  1  0.250  0.313  0.350  1.0
  O  O40  1  0.250  0.239  0.503  1.0
  O  O41  1  0.750  0.139  0.662  1.0
  O  O42  1  0.250  0.040  0.802  1.0
  O  O43  1  0.750  0.144  0.256  1.0
  O  O44  1  0.250  0.089  0.415  1.0
  O  O45  1  0.750  0.176  0.106  1.0
[/CIF]
.