The material described by LiNb3(Bi2O7)2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(6) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 28-44°. In the second Nb site, Nb(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 28-44°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one O(7), and two equivalent O(2) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nb(2), one Bi(1), and two equivalent Bi(2) atoms. In the second O site, O(2) is bonded to one Li(1), one Bi(2), and two equivalent Bi(1) atoms to form distorted OLiBi3 tetrahedra that share  a cornercorner with one O(2)LiBi3 tetrahedra, corners with two equivalent O(4)NbBi3 tetrahedra,  an edgeedge with one O(2)LiBi3 tetrahedra, and  an edgeedge with one O(4)NbBi3 tetrahedra. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Nb(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded to one Nb(1), one Bi(1), and two equivalent Bi(2) atoms to form distorted ONbBi3 tetrahedra that share corners with two equivalent O(2)LiBi3 tetrahedra,  an edgeedge with one O(2)LiBi3 tetrahedra, and  an edgeedge with one O(4)NbBi3 tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Nb(1), one Nb(2), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Nb(1), one Nb(2), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Bi(1) atom. is represented by the CIF card [CIF]
data_LiNb3(Bi2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.695
_cell_length_b   7.695
_cell_length_c   12.253
_cell_angle_alpha   80.051
_cell_angle_beta   80.051
_cell_angle_gamma   60.849
_symmetry_Int_Tables_number   1
_cell_volume   620.734
_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  0.467  0.533  0.750  1.0
  Li  Li1  1  0.533  0.467  0.250  1.0
  Nb  Nb2  1  0.874  0.621  0.740  1.0
  Nb  Nb3  1  0.379  0.126  0.760  1.0
  Nb  Nb4  1  0.129  0.871  0.250  1.0
  Nb  Nb5  1  0.621  0.874  0.240  1.0
  Nb  Nb6  1  0.126  0.379  0.260  1.0
  Nb  Nb7  1  0.871  0.129  0.750  1.0
  Bi  Bi8  1  0.276  0.493  0.506  1.0
  Bi  Bi9  1  0.024  0.742  0.977  1.0
  Bi  Bi10  1  0.976  0.258  0.023  1.0
  Bi  Bi11  1  0.507  0.724  0.994  1.0
  Bi  Bi12  1  0.742  0.024  0.477  1.0
  Bi  Bi13  1  0.724  0.507  0.494  1.0
  Bi  Bi14  1  0.258  0.976  0.523  1.0
  Bi  Bi15  1  0.493  0.276  0.006  1.0
  O  O16  1  0.860  0.148  0.584  1.0
  O  O17  1  0.385  0.577  0.911  1.0
  O  O18  1  0.148  0.860  0.084  1.0
  O  O19  1  0.152  0.268  0.414  1.0
  O  O20  1  0.149  0.444  0.087  1.0
  O  O21  1  0.423  0.615  0.589  1.0
  O  O22  1  0.924  0.853  0.771  1.0
  O  O23  1  0.140  0.852  0.416  1.0
  O  O24  1  0.268  0.152  0.914  1.0
  O  O25  1  0.147  0.076  0.729  1.0
  O  O26  1  0.851  0.556  0.913  1.0
  O  O27  1  0.853  0.924  0.271  1.0
  O  O28  1  0.615  0.423  0.089  1.0
  O  O29  1  0.227  0.559  0.281  1.0
  O  O30  1  0.556  0.851  0.413  1.0
  O  O31  1  0.444  0.149  0.587  1.0
  O  O32  1  0.559  0.227  0.781  1.0
  O  O33  1  0.773  0.441  0.719  1.0
  O  O34  1  0.849  0.559  0.283  1.0
  O  O35  1  0.151  0.441  0.717  1.0
  O  O36  1  0.441  0.773  0.219  1.0
  O  O37  1  0.559  0.849  0.783  1.0
  O  O38  1  0.848  0.732  0.586  1.0
  O  O39  1  0.577  0.385  0.411  1.0
  O  O40  1  0.852  0.140  0.916  1.0
  O  O41  1  0.441  0.151  0.217  1.0
  O  O42  1  0.732  0.848  0.086  1.0
  O  O43  1  0.076  0.147  0.229  1.0
[/CIF]
.
The material described by LiNb3(Bi2O7)2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(6) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 28-44°. In the second Nb site, Nb(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 28-44°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one O(7), and two equivalent O(2) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nb(2), one Bi(1), and two equivalent Bi(2) atoms. In the second O site, O(2) is bonded to one Li(1), one Bi(2), and two equivalent Bi(1) atoms to form distorted OLiBi3 tetrahedra that share  a cornercorner with one O(2)LiBi3 tetrahedra, corners with two equivalent O(4)NbBi3 tetrahedra,  an edgeedge with one O(2)LiBi3 tetrahedra, and  an edgeedge with one O(4)NbBi3 tetrahedra. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Nb(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded to one Nb(1), one Bi(1), and two equivalent Bi(2) atoms to form distorted ONbBi3 tetrahedra that share corners with two equivalent O(2)LiBi3 tetrahedra,  an edgeedge with one O(2)LiBi3 tetrahedra, and  an edgeedge with one O(4)NbBi3 tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Nb(1), one Nb(2), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Nb(1), one Nb(2), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Bi(1) atom. is represented by the CIF card [CIF]
data_LiNb3(Bi2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.695
_cell_length_b   7.695
_cell_length_c   12.253
_cell_angle_alpha   80.051
_cell_angle_beta   80.051
_cell_angle_gamma   60.849
_symmetry_Int_Tables_number   1
_cell_volume   620.734
_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  0.467  0.533  0.750  1.0
  Li  Li1  1  0.533  0.467  0.250  1.0
  Nb  Nb2  1  0.874  0.621  0.740  1.0
  Nb  Nb3  1  0.379  0.126  0.760  1.0
  Nb  Nb4  1  0.129  0.871  0.250  1.0
  Nb  Nb5  1  0.621  0.874  0.240  1.0
  Nb  Nb6  1  0.126  0.379  0.260  1.0
  Nb  Nb7  1  0.871  0.129  0.750  1.0
  Bi  Bi8  1  0.276  0.493  0.506  1.0
  Bi  Bi9  1  0.024  0.742  0.977  1.0
  Bi  Bi10  1  0.976  0.258  0.023  1.0
  Bi  Bi11  1  0.507  0.724  0.994  1.0
  Bi  Bi12  1  0.742  0.024  0.477  1.0
  Bi  Bi13  1  0.724  0.507  0.494  1.0
  Bi  Bi14  1  0.258  0.976  0.523  1.0
  Bi  Bi15  1  0.493  0.276  0.006  1.0
  O  O16  1  0.860  0.148  0.584  1.0
  O  O17  1  0.385  0.577  0.911  1.0
  O  O18  1  0.148  0.860  0.084  1.0
  O  O19  1  0.152  0.268  0.414  1.0
  O  O20  1  0.149  0.444  0.087  1.0
  O  O21  1  0.423  0.615  0.589  1.0
  O  O22  1  0.924  0.853  0.771  1.0
  O  O23  1  0.140  0.852  0.416  1.0
  O  O24  1  0.268  0.152  0.914  1.0
  O  O25  1  0.147  0.076  0.729  1.0
  O  O26  1  0.851  0.556  0.913  1.0
  O  O27  1  0.853  0.924  0.271  1.0
  O  O28  1  0.615  0.423  0.089  1.0
  O  O29  1  0.227  0.559  0.281  1.0
  O  O30  1  0.556  0.851  0.413  1.0
  O  O31  1  0.444  0.149  0.587  1.0
  O  O32  1  0.559  0.227  0.781  1.0
  O  O33  1  0.773  0.441  0.719  1.0
  O  O34  1  0.849  0.559  0.283  1.0
  O  O35  1  0.151  0.441  0.717  1.0
  O  O36  1  0.441  0.773  0.219  1.0
  O  O37  1  0.559  0.849  0.783  1.0
  O  O38  1  0.848  0.732  0.586  1.0
  O  O39  1  0.577  0.385  0.411  1.0
  O  O40  1  0.852  0.140  0.916  1.0
  O  O41  1  0.441  0.151  0.217  1.0
  O  O42  1  0.732  0.848  0.086  1.0
  O  O43  1  0.076  0.147  0.229  1.0
[/CIF]
.