The material structure described by Li3Bi2(PO4)3 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share  a cornercorner with one Bi(1)O6 octahedra,  a cornercorner with one Bi(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-74°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form BiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. In the second Bi site, Bi(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form BiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra, and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(2), and one P(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Bi(1), and one P(1) atom to form distorted corner-sharing OLi2BiP tetrahedra. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Bi(2) and one P(1) atom. is represented by the CIF file [CIF]
data_Li3Bi2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.756
_cell_length_b   9.756
_cell_length_c   9.756
_cell_angle_alpha   54.459
_cell_angle_beta   54.459
_cell_angle_gamma   54.459
_symmetry_Int_Tables_number   1
_cell_volume   571.833
_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  0.333  0.065  0.737  1.0
  Li  Li1  1  0.667  0.935  0.263  1.0
  Li  Li2  1  0.263  0.667  0.935  1.0
  Li  Li3  1  0.935  0.263  0.667  1.0
  Li  Li4  1  0.065  0.737  0.333  1.0
  Li  Li5  1  0.737  0.333  0.065  1.0
  Bi  Bi6  1  0.655  0.655  0.655  1.0
  Bi  Bi7  1  0.152  0.152  0.152  1.0
  Bi  Bi8  1  0.848  0.848  0.848  1.0
  Bi  Bi9  1  0.345  0.345  0.345  1.0
  P  P10  1  0.950  0.562  0.252  1.0
  P  P11  1  0.438  0.748  0.050  1.0
  P  P12  1  0.562  0.252  0.950  1.0
  P  P13  1  0.050  0.438  0.748  1.0
  P  P14  1  0.748  0.050  0.438  1.0
  P  P15  1  0.252  0.950  0.562  1.0
  O  O16  1  0.857  0.495  0.464  1.0
  O  O17  1  0.464  0.857  0.495  1.0
  O  O18  1  0.161  0.824  0.748  1.0
  O  O19  1  0.200  0.122  0.589  1.0
  O  O20  1  0.800  0.878  0.411  1.0
  O  O21  1  0.839  0.176  0.252  1.0
  O  O22  1  0.536  0.143  0.505  1.0
  O  O23  1  0.878  0.411  0.800  1.0
  O  O24  1  0.011  0.421  0.185  1.0
  O  O25  1  0.411  0.800  0.878  1.0
  O  O26  1  0.815  0.989  0.579  1.0
  O  O27  1  0.989  0.579  0.815  1.0
  O  O28  1  0.505  0.536  0.143  1.0
  O  O29  1  0.252  0.839  0.176  1.0
  O  O30  1  0.176  0.252  0.839  1.0
  O  O31  1  0.579  0.815  0.989  1.0
  O  O32  1  0.421  0.185  0.011  1.0
  O  O33  1  0.143  0.505  0.536  1.0
  O  O34  1  0.748  0.161  0.824  1.0
  O  O35  1  0.495  0.464  0.857  1.0
  O  O36  1  0.824  0.748  0.161  1.0
  O  O37  1  0.185  0.011  0.421  1.0
  O  O38  1  0.589  0.200  0.122  1.0
  O  O39  1  0.122  0.589  0.200  1.0
[/CIF]
.
The material structure described by Li3Bi2(PO4)3 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share  a cornercorner with one Bi(1)O6 octahedra,  a cornercorner with one Bi(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-74°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form BiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. In the second Bi site, Bi(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form BiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra, and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(2), and one P(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Bi(1), and one P(1) atom to form distorted corner-sharing OLi2BiP tetrahedra. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Bi(2) and one P(1) atom. is represented by the CIF file [CIF]
data_Li3Bi2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.756
_cell_length_b   9.756
_cell_length_c   9.756
_cell_angle_alpha   54.459
_cell_angle_beta   54.459
_cell_angle_gamma   54.459
_symmetry_Int_Tables_number   1
_cell_volume   571.833
_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  0.333  0.065  0.737  1.0
  Li  Li1  1  0.667  0.935  0.263  1.0
  Li  Li2  1  0.263  0.667  0.935  1.0
  Li  Li3  1  0.935  0.263  0.667  1.0
  Li  Li4  1  0.065  0.737  0.333  1.0
  Li  Li5  1  0.737  0.333  0.065  1.0
  Bi  Bi6  1  0.655  0.655  0.655  1.0
  Bi  Bi7  1  0.152  0.152  0.152  1.0
  Bi  Bi8  1  0.848  0.848  0.848  1.0
  Bi  Bi9  1  0.345  0.345  0.345  1.0
  P  P10  1  0.950  0.562  0.252  1.0
  P  P11  1  0.438  0.748  0.050  1.0
  P  P12  1  0.562  0.252  0.950  1.0
  P  P13  1  0.050  0.438  0.748  1.0
  P  P14  1  0.748  0.050  0.438  1.0
  P  P15  1  0.252  0.950  0.562  1.0
  O  O16  1  0.857  0.495  0.464  1.0
  O  O17  1  0.464  0.857  0.495  1.0
  O  O18  1  0.161  0.824  0.748  1.0
  O  O19  1  0.200  0.122  0.589  1.0
  O  O20  1  0.800  0.878  0.411  1.0
  O  O21  1  0.839  0.176  0.252  1.0
  O  O22  1  0.536  0.143  0.505  1.0
  O  O23  1  0.878  0.411  0.800  1.0
  O  O24  1  0.011  0.421  0.185  1.0
  O  O25  1  0.411  0.800  0.878  1.0
  O  O26  1  0.815  0.989  0.579  1.0
  O  O27  1  0.989  0.579  0.815  1.0
  O  O28  1  0.505  0.536  0.143  1.0
  O  O29  1  0.252  0.839  0.176  1.0
  O  O30  1  0.176  0.252  0.839  1.0
  O  O31  1  0.579  0.815  0.989  1.0
  O  O32  1  0.421  0.185  0.011  1.0
  O  O33  1  0.143  0.505  0.536  1.0
  O  O34  1  0.748  0.161  0.824  1.0
  O  O35  1  0.495  0.464  0.857  1.0
  O  O36  1  0.824  0.748  0.161  1.0
  O  O37  1  0.185  0.011  0.421  1.0
  O  O38  1  0.589  0.200  0.122  1.0
  O  O39  1  0.122  0.589  0.200  1.0
[/CIF]
.