The structure described by Li3Bi2(PO4)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Bi(1)O6 octahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted BiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  a faceface with one Li(1)O6 octahedra. There are two inequivalent P sites. In the first P site, 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 Li(1)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-57°. In the second P site, P(2) is bonded to two equivalent O(5) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-45°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Bi(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Bi(1) and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Bi(1), and one P(1) atom to form distorted corner-sharing OLi2BiP trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(2), one Bi(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Bi(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li3Bi2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.025
_cell_length_b   9.025
_cell_length_c   8.877
_cell_angle_alpha   63.295
_cell_angle_beta   63.295
_cell_angle_gamma   63.644
_symmetry_Int_Tables_number   1
_cell_volume   549.802
_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  0.000  0.500  0.000  1.0
  Li  Li1  1  0.722  0.666  0.384  1.0
  Li  Li2  1  0.666  0.722  0.884  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  Li  Li4  1  0.334  0.278  0.116  1.0
  Li  Li5  1  0.278  0.334  0.616  1.0
  Bi  Bi6  1  0.859  0.331  0.852  1.0
  Bi  Bi7  1  0.669  0.141  0.648  1.0
  Bi  Bi8  1  0.331  0.859  0.352  1.0
  Bi  Bi9  1  0.141  0.669  0.148  1.0
  P  P10  1  0.901  0.743  0.564  1.0
  P  P11  1  0.440  0.560  0.750  1.0
  P  P12  1  0.743  0.901  0.064  1.0
  P  P13  1  0.257  0.099  0.936  1.0
  P  P14  1  0.560  0.440  0.250  1.0
  P  P15  1  0.099  0.257  0.436  1.0
  O  O16  1  0.674  0.906  0.931  1.0
  O  O17  1  0.944  0.190  0.505  1.0
  O  O18  1  0.900  0.602  0.751  1.0
  O  O19  1  0.906  0.674  0.431  1.0
  O  O20  1  0.889  0.720  0.098  1.0
  O  O21  1  0.471  0.409  0.690  1.0
  O  O22  1  0.591  0.529  0.810  1.0
  O  O23  1  0.720  0.889  0.598  1.0
  O  O24  1  0.432  0.736  0.593  1.0
  O  O25  1  0.264  0.568  0.907  1.0
  O  O26  1  0.810  0.056  0.995  1.0
  O  O27  1  0.602  0.900  0.251  1.0
  O  O28  1  0.398  0.100  0.749  1.0
  O  O29  1  0.190  0.944  0.005  1.0
  O  O30  1  0.736  0.432  0.093  1.0
  O  O31  1  0.568  0.264  0.407  1.0
  O  O32  1  0.280  0.111  0.402  1.0
  O  O33  1  0.409  0.471  0.190  1.0
  O  O34  1  0.529  0.591  0.310  1.0
  O  O35  1  0.111  0.280  0.902  1.0
  O  O36  1  0.094  0.326  0.569  1.0
  O  O37  1  0.100  0.398  0.249  1.0
  O  O38  1  0.056  0.810  0.495  1.0
  O  O39  1  0.326  0.094  0.069  1.0
[/CIF]
.
The structure described by Li3Bi2(PO4)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Bi(1)O6 octahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted BiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  a faceface with one Li(1)O6 octahedra. There are two inequivalent P sites. In the first P site, 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 Li(1)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-57°. In the second P site, P(2) is bonded to two equivalent O(5) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-45°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Bi(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Bi(1) and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Bi(1), and one P(1) atom to form distorted corner-sharing OLi2BiP trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(2), one Bi(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Bi(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li3Bi2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.025
_cell_length_b   9.025
_cell_length_c   8.877
_cell_angle_alpha   63.295
_cell_angle_beta   63.295
_cell_angle_gamma   63.644
_symmetry_Int_Tables_number   1
_cell_volume   549.802
_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  0.000  0.500  0.000  1.0
  Li  Li1  1  0.722  0.666  0.384  1.0
  Li  Li2  1  0.666  0.722  0.884  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  Li  Li4  1  0.334  0.278  0.116  1.0
  Li  Li5  1  0.278  0.334  0.616  1.0
  Bi  Bi6  1  0.859  0.331  0.852  1.0
  Bi  Bi7  1  0.669  0.141  0.648  1.0
  Bi  Bi8  1  0.331  0.859  0.352  1.0
  Bi  Bi9  1  0.141  0.669  0.148  1.0
  P  P10  1  0.901  0.743  0.564  1.0
  P  P11  1  0.440  0.560  0.750  1.0
  P  P12  1  0.743  0.901  0.064  1.0
  P  P13  1  0.257  0.099  0.936  1.0
  P  P14  1  0.560  0.440  0.250  1.0
  P  P15  1  0.099  0.257  0.436  1.0
  O  O16  1  0.674  0.906  0.931  1.0
  O  O17  1  0.944  0.190  0.505  1.0
  O  O18  1  0.900  0.602  0.751  1.0
  O  O19  1  0.906  0.674  0.431  1.0
  O  O20  1  0.889  0.720  0.098  1.0
  O  O21  1  0.471  0.409  0.690  1.0
  O  O22  1  0.591  0.529  0.810  1.0
  O  O23  1  0.720  0.889  0.598  1.0
  O  O24  1  0.432  0.736  0.593  1.0
  O  O25  1  0.264  0.568  0.907  1.0
  O  O26  1  0.810  0.056  0.995  1.0
  O  O27  1  0.602  0.900  0.251  1.0
  O  O28  1  0.398  0.100  0.749  1.0
  O  O29  1  0.190  0.944  0.005  1.0
  O  O30  1  0.736  0.432  0.093  1.0
  O  O31  1  0.568  0.264  0.407  1.0
  O  O32  1  0.280  0.111  0.402  1.0
  O  O33  1  0.409  0.471  0.190  1.0
  O  O34  1  0.529  0.591  0.310  1.0
  O  O35  1  0.111  0.280  0.902  1.0
  O  O36  1  0.094  0.326  0.569  1.0
  O  O37  1  0.100  0.398  0.249  1.0
  O  O38  1  0.056  0.810  0.495  1.0
  O  O39  1  0.326  0.094  0.069  1.0
[/CIF]
.