The structure described by Li2Bi(PO4)2 crystallizes in the trigonal P3 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Bi(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(7) atoms. In the third Li site, Li(3) is bonded in a distorted T-shaped geometry to three equivalent O(3) atoms. In the fourth Li site, Li(4) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted hexagonal planar geometry to three equivalent O(3) and three equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form BiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Bi site, Bi(3) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form BiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(2)O6 octahedra,  a cornercorner with one Bi(3)O6 octahedra, and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(2)O6 octahedra,  a cornercorner with one Bi(3)O6 octahedra, and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Bi(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Bi(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(3), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Bi(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one P(1) atom. In the eighth O site, O(8) 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_Li2Bi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.593
_cell_length_b   8.593
_cell_length_c   7.875
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   503.626
_cell_formula_units_Z   3
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  0.645  0.645  0.365  1.0
  Li  Li1  1  0.000  0.000  0.502  1.0
  Li  Li2  1  0.333  0.667  0.617  1.0
  Li  Li3  1  1.000  0.355  0.365  1.0
  Li  Li4  1  0.355  0.000  0.365  1.0
  Li  Li5  1  0.667  0.333  0.537  1.0
  Bi  Bi6  1  0.333  0.667  0.001  1.0
  Bi  Bi7  1  0.000  0.000  0.937  1.0
  Bi  Bi8  1  0.667  0.333  0.061  1.0
  P  P9  1  0.692  0.981  0.243  1.0
  P  P10  1  0.982  0.347  0.753  1.0
  P  P11  1  0.289  0.308  0.243  1.0
  P  P12  1  0.653  0.635  0.753  1.0
  P  P13  1  0.019  0.711  0.243  1.0
  P  P14  1  0.365  0.018  0.753  1.0
  O  O15  1  0.907  0.373  0.587  1.0
  O  O16  1  0.218  0.075  0.756  1.0
  O  O17  1  0.277  0.812  0.764  1.0
  O  O18  1  0.407  0.517  0.229  1.0
  O  O19  1  0.420  0.231  0.253  1.0
  O  O20  1  0.600  0.511  0.912  1.0
  O  O21  1  0.627  0.534  0.587  1.0
  O  O22  1  0.466  0.093  0.587  1.0
  O  O23  1  0.489  0.090  0.912  1.0
  O  O24  1  0.810  0.580  0.253  1.0
  O  O25  1  0.483  0.890  0.229  1.0
  O  O26  1  0.088  0.844  0.390  1.0
  O  O27  1  0.535  0.723  0.764  1.0
  O  O28  1  0.769  0.190  0.253  1.0
  O  O29  1  0.910  0.400  0.912  1.0
  O  O30  1  0.748  0.930  0.068  1.0
  O  O31  1  0.756  0.912  0.390  1.0
  O  O32  1  0.110  0.593  0.229  1.0
  O  O33  1  0.925  0.142  0.756  1.0
  O  O34  1  0.188  0.465  0.764  1.0
  O  O35  1  0.858  0.782  0.756  1.0
  O  O36  1  0.156  0.244  0.390  1.0
  O  O37  1  0.182  0.252  0.068  1.0
  O  O38  1  0.070  0.818  0.068  1.0
[/CIF]
.
The structure described by Li2Bi(PO4)2 crystallizes in the trigonal P3 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Bi(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(7) atoms. In the third Li site, Li(3) is bonded in a distorted T-shaped geometry to three equivalent O(3) atoms. In the fourth Li site, Li(4) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted hexagonal planar geometry to three equivalent O(3) and three equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form BiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Bi site, Bi(3) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form BiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(2)O6 octahedra,  a cornercorner with one Bi(3)O6 octahedra, and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(2)O6 octahedra,  a cornercorner with one Bi(3)O6 octahedra, and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Bi(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Bi(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(3), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Bi(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one P(1) atom. In the eighth O site, O(8) 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_Li2Bi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.593
_cell_length_b   8.593
_cell_length_c   7.875
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   503.626
_cell_formula_units_Z   3
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  0.645  0.645  0.365  1.0
  Li  Li1  1  0.000  0.000  0.502  1.0
  Li  Li2  1  0.333  0.667  0.617  1.0
  Li  Li3  1  1.000  0.355  0.365  1.0
  Li  Li4  1  0.355  0.000  0.365  1.0
  Li  Li5  1  0.667  0.333  0.537  1.0
  Bi  Bi6  1  0.333  0.667  0.001  1.0
  Bi  Bi7  1  0.000  0.000  0.937  1.0
  Bi  Bi8  1  0.667  0.333  0.061  1.0
  P  P9  1  0.692  0.981  0.243  1.0
  P  P10  1  0.982  0.347  0.753  1.0
  P  P11  1  0.289  0.308  0.243  1.0
  P  P12  1  0.653  0.635  0.753  1.0
  P  P13  1  0.019  0.711  0.243  1.0
  P  P14  1  0.365  0.018  0.753  1.0
  O  O15  1  0.907  0.373  0.587  1.0
  O  O16  1  0.218  0.075  0.756  1.0
  O  O17  1  0.277  0.812  0.764  1.0
  O  O18  1  0.407  0.517  0.229  1.0
  O  O19  1  0.420  0.231  0.253  1.0
  O  O20  1  0.600  0.511  0.912  1.0
  O  O21  1  0.627  0.534  0.587  1.0
  O  O22  1  0.466  0.093  0.587  1.0
  O  O23  1  0.489  0.090  0.912  1.0
  O  O24  1  0.810  0.580  0.253  1.0
  O  O25  1  0.483  0.890  0.229  1.0
  O  O26  1  0.088  0.844  0.390  1.0
  O  O27  1  0.535  0.723  0.764  1.0
  O  O28  1  0.769  0.190  0.253  1.0
  O  O29  1  0.910  0.400  0.912  1.0
  O  O30  1  0.748  0.930  0.068  1.0
  O  O31  1  0.756  0.912  0.390  1.0
  O  O32  1  0.110  0.593  0.229  1.0
  O  O33  1  0.925  0.142  0.756  1.0
  O  O34  1  0.188  0.465  0.764  1.0
  O  O35  1  0.858  0.782  0.756  1.0
  O  O36  1  0.156  0.244  0.390  1.0
  O  O37  1  0.182  0.252  0.068  1.0
  O  O38  1  0.070  0.818  0.068  1.0
[/CIF]
.