The material described by Li7Bi(BO4)2 crystallizes in the monoclinic C2/m space group. There are six 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(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent B(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one B(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra, corners with two equivalent B(2)O4 tetrahedra, and corners with four equivalent Li(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(4), and two equivalent O(6) atoms to form LiO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra, corners with two equivalent B(2)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(5) atoms. In the sixth Li site, Li(6) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form BO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with four equivalent Li(1)O4 tetrahedra. In the second B site, B(2) is bonded to one O(2), one O(5), and two equivalent O(6) atoms to form BO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. Bi(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(3), one Li(6), two equivalent Li(1), and one B(1) atom. In the second O site, O(2) is bonded to one Li(2), one Li(5), two equivalent Li(1), and one B(2) atom to form distorted corner-sharing OLi4B trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(4), one B(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to one Li(3), one Li(6), two equivalent Li(4), and one B(1) atom to form corner-sharing OLi4B trigonal bipyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(2), one Li(5), two equivalent Li(4), and one B(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(4), one B(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Li7Bi(BO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.041
_cell_length_b   8.041
_cell_length_c   7.539
_cell_angle_alpha   89.101
_cell_angle_beta   89.101
_cell_angle_gamma   46.916
_symmetry_Int_Tables_number   1
_cell_volume   355.922
_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  0.187  0.674  0.369  1.0
  Li  Li1  1  0.674  0.187  0.369  1.0
  Li  Li2  1  0.925  0.925  0.723  1.0
  Li  Li3  1  0.357  0.357  0.150  1.0
  Li  Li4  1  0.068  0.569  0.874  1.0
  Li  Li5  1  0.569  0.068  0.874  1.0
  Li  Li6  1  0.431  0.932  0.126  1.0
  Li  Li7  1  0.932  0.431  0.126  1.0
  Li  Li8  1  0.643  0.643  0.850  1.0
  Li  Li9  1  0.075  0.075  0.277  1.0
  Li  Li10  1  0.813  0.326  0.631  1.0
  Li  Li11  1  0.326  0.813  0.631  1.0
  Li  Li12  1  0.000  0.000  0.000  1.0
  Li  Li13  1  0.500  0.500  0.000  1.0
  Bi  Bi14  1  0.735  0.735  0.436  1.0
  Bi  Bi15  1  0.265  0.265  0.564  1.0
  B  B16  1  0.427  0.427  0.735  1.0
  B  B17  1  0.862  0.862  0.155  1.0
  B  B18  1  0.138  0.138  0.845  1.0
  B  B19  1  0.573  0.573  0.265  1.0
  O  O20  1  0.476  0.476  0.260  1.0
  O  O21  1  0.950  0.950  0.244  1.0
  O  O22  1  0.192  0.582  0.628  1.0
  O  O23  1  0.582  0.192  0.628  1.0
  O  O24  1  0.382  0.382  0.908  1.0
  O  O25  1  0.868  0.868  0.964  1.0
  O  O26  1  0.000  0.611  0.228  1.0
  O  O27  1  0.611  0.000  0.228  1.0
  O  O28  1  0.389  1.000  0.772  1.0
  O  O29  1  1.000  0.389  0.772  1.0
  O  O30  1  0.132  0.132  0.036  1.0
  O  O31  1  0.618  0.618  0.092  1.0
  O  O32  1  0.418  0.808  0.372  1.0
  O  O33  1  0.808  0.418  0.372  1.0
  O  O34  1  0.050  0.050  0.756  1.0
  O  O35  1  0.524  0.524  0.740  1.0
[/CIF]
.
The material described by Li7Bi(BO4)2 crystallizes in the monoclinic C2/m space group. There are six 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(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent B(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one B(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra, corners with two equivalent B(2)O4 tetrahedra, and corners with four equivalent Li(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(4), and two equivalent O(6) atoms to form LiO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra, corners with two equivalent B(2)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(5) atoms. In the sixth Li site, Li(6) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form BO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with four equivalent Li(1)O4 tetrahedra. In the second B site, B(2) is bonded to one O(2), one O(5), and two equivalent O(6) atoms to form BO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. Bi(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(3), one Li(6), two equivalent Li(1), and one B(1) atom. In the second O site, O(2) is bonded to one Li(2), one Li(5), two equivalent Li(1), and one B(2) atom to form distorted corner-sharing OLi4B trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(4), one B(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to one Li(3), one Li(6), two equivalent Li(4), and one B(1) atom to form corner-sharing OLi4B trigonal bipyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(2), one Li(5), two equivalent Li(4), and one B(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(4), one B(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Li7Bi(BO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.041
_cell_length_b   8.041
_cell_length_c   7.539
_cell_angle_alpha   89.101
_cell_angle_beta   89.101
_cell_angle_gamma   46.916
_symmetry_Int_Tables_number   1
_cell_volume   355.922
_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  0.187  0.674  0.369  1.0
  Li  Li1  1  0.674  0.187  0.369  1.0
  Li  Li2  1  0.925  0.925  0.723  1.0
  Li  Li3  1  0.357  0.357  0.150  1.0
  Li  Li4  1  0.068  0.569  0.874  1.0
  Li  Li5  1  0.569  0.068  0.874  1.0
  Li  Li6  1  0.431  0.932  0.126  1.0
  Li  Li7  1  0.932  0.431  0.126  1.0
  Li  Li8  1  0.643  0.643  0.850  1.0
  Li  Li9  1  0.075  0.075  0.277  1.0
  Li  Li10  1  0.813  0.326  0.631  1.0
  Li  Li11  1  0.326  0.813  0.631  1.0
  Li  Li12  1  0.000  0.000  0.000  1.0
  Li  Li13  1  0.500  0.500  0.000  1.0
  Bi  Bi14  1  0.735  0.735  0.436  1.0
  Bi  Bi15  1  0.265  0.265  0.564  1.0
  B  B16  1  0.427  0.427  0.735  1.0
  B  B17  1  0.862  0.862  0.155  1.0
  B  B18  1  0.138  0.138  0.845  1.0
  B  B19  1  0.573  0.573  0.265  1.0
  O  O20  1  0.476  0.476  0.260  1.0
  O  O21  1  0.950  0.950  0.244  1.0
  O  O22  1  0.192  0.582  0.628  1.0
  O  O23  1  0.582  0.192  0.628  1.0
  O  O24  1  0.382  0.382  0.908  1.0
  O  O25  1  0.868  0.868  0.964  1.0
  O  O26  1  0.000  0.611  0.228  1.0
  O  O27  1  0.611  0.000  0.228  1.0
  O  O28  1  0.389  1.000  0.772  1.0
  O  O29  1  1.000  0.389  0.772  1.0
  O  O30  1  0.132  0.132  0.036  1.0
  O  O31  1  0.618  0.618  0.092  1.0
  O  O32  1  0.418  0.808  0.372  1.0
  O  O33  1  0.808  0.418  0.372  1.0
  O  O34  1  0.050  0.050  0.756  1.0
  O  O35  1  0.524  0.524  0.740  1.0
[/CIF]
.