The structure described by Li3Bi3(PO4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. 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  a cornercorner with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Bi(2), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Bi(1), one Bi(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to 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(1), one Bi(1), one Bi(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Bi(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one P(2) atom. is represented by the CIF file [CIF]
data_Li3Bi3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.605
_cell_length_b   9.605
_cell_length_c   10.987
_cell_angle_alpha   87.744
_cell_angle_beta   87.744
_cell_angle_gamma   41.118
_symmetry_Int_Tables_number   1
_cell_volume   665.963
_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  0.571  0.740  0.738  1.0
  Li  Li1  1  0.740  0.571  0.238  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  0.000  0.500  0.000  1.0
  Li  Li4  1  0.260  0.429  0.762  1.0
  Li  Li5  1  0.429  0.260  0.262  1.0
  Bi  Bi6  1  0.323  0.955  0.991  1.0
  Bi  Bi7  1  0.955  0.323  0.491  1.0
  Bi  Bi8  1  0.045  0.677  0.509  1.0
  Bi  Bi9  1  0.677  0.045  0.009  1.0
  Bi  Bi10  1  0.644  0.356  0.750  1.0
  Bi  Bi11  1  0.356  0.644  0.250  1.0
  P  P12  1  0.756  0.376  0.006  1.0
  P  P13  1  0.376  0.756  0.506  1.0
  P  P14  1  0.134  0.249  0.742  1.0
  P  P15  1  0.249  0.134  0.242  1.0
  P  P16  1  0.751  0.866  0.758  1.0
  P  P17  1  0.866  0.751  0.258  1.0
  P  P18  1  0.624  0.244  0.494  1.0
  P  P19  1  0.244  0.624  0.994  1.0
  O  O20  1  0.775  0.206  0.969  1.0
  O  O21  1  0.206  0.775  0.469  1.0
  O  O22  1  0.476  0.657  0.634  1.0
  O  O23  1  0.619  0.555  0.906  1.0
  O  O24  1  0.657  0.476  0.134  1.0
  O  O25  1  0.555  0.619  0.406  1.0
  O  O26  1  0.981  0.270  0.006  1.0
  O  O27  1  0.911  0.351  0.714  1.0
  O  O28  1  0.270  0.981  0.506  1.0
  O  O29  1  0.280  0.013  0.782  1.0
  O  O30  1  0.351  0.911  0.214  1.0
  O  O31  1  0.013  0.280  0.282  1.0
  O  O32  1  0.721  0.806  0.884  1.0
  O  O33  1  0.653  0.855  0.658  1.0
  O  O34  1  0.806  0.721  0.384  1.0
  O  O35  1  0.855  0.653  0.158  1.0
  O  O36  1  0.145  0.347  0.842  1.0
  O  O37  1  0.194  0.279  0.616  1.0
  O  O38  1  0.347  0.145  0.342  1.0
  O  O39  1  0.279  0.194  0.116  1.0
  O  O40  1  0.987  0.720  0.718  1.0
  O  O41  1  0.649  0.089  0.786  1.0
  O  O42  1  0.720  0.987  0.218  1.0
  O  O43  1  0.730  0.019  0.494  1.0
  O  O44  1  0.089  0.649  0.286  1.0
  O  O45  1  0.019  0.730  0.994  1.0
  O  O46  1  0.445  0.381  0.594  1.0
  O  O47  1  0.343  0.524  0.866  1.0
  O  O48  1  0.381  0.445  0.094  1.0
  O  O49  1  0.524  0.343  0.366  1.0
  O  O50  1  0.794  0.225  0.531  1.0
  O  O51  1  0.225  0.794  0.031  1.0
[/CIF]
.
The structure described by Li3Bi3(PO4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. 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  a cornercorner with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Bi(2), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Bi(1), one Bi(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to 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(1), one Bi(1), one Bi(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Bi(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one P(2) atom. is represented by the CIF file [CIF]
data_Li3Bi3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.605
_cell_length_b   9.605
_cell_length_c   10.987
_cell_angle_alpha   87.744
_cell_angle_beta   87.744
_cell_angle_gamma   41.118
_symmetry_Int_Tables_number   1
_cell_volume   665.963
_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  0.571  0.740  0.738  1.0
  Li  Li1  1  0.740  0.571  0.238  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  0.000  0.500  0.000  1.0
  Li  Li4  1  0.260  0.429  0.762  1.0
  Li  Li5  1  0.429  0.260  0.262  1.0
  Bi  Bi6  1  0.323  0.955  0.991  1.0
  Bi  Bi7  1  0.955  0.323  0.491  1.0
  Bi  Bi8  1  0.045  0.677  0.509  1.0
  Bi  Bi9  1  0.677  0.045  0.009  1.0
  Bi  Bi10  1  0.644  0.356  0.750  1.0
  Bi  Bi11  1  0.356  0.644  0.250  1.0
  P  P12  1  0.756  0.376  0.006  1.0
  P  P13  1  0.376  0.756  0.506  1.0
  P  P14  1  0.134  0.249  0.742  1.0
  P  P15  1  0.249  0.134  0.242  1.0
  P  P16  1  0.751  0.866  0.758  1.0
  P  P17  1  0.866  0.751  0.258  1.0
  P  P18  1  0.624  0.244  0.494  1.0
  P  P19  1  0.244  0.624  0.994  1.0
  O  O20  1  0.775  0.206  0.969  1.0
  O  O21  1  0.206  0.775  0.469  1.0
  O  O22  1  0.476  0.657  0.634  1.0
  O  O23  1  0.619  0.555  0.906  1.0
  O  O24  1  0.657  0.476  0.134  1.0
  O  O25  1  0.555  0.619  0.406  1.0
  O  O26  1  0.981  0.270  0.006  1.0
  O  O27  1  0.911  0.351  0.714  1.0
  O  O28  1  0.270  0.981  0.506  1.0
  O  O29  1  0.280  0.013  0.782  1.0
  O  O30  1  0.351  0.911  0.214  1.0
  O  O31  1  0.013  0.280  0.282  1.0
  O  O32  1  0.721  0.806  0.884  1.0
  O  O33  1  0.653  0.855  0.658  1.0
  O  O34  1  0.806  0.721  0.384  1.0
  O  O35  1  0.855  0.653  0.158  1.0
  O  O36  1  0.145  0.347  0.842  1.0
  O  O37  1  0.194  0.279  0.616  1.0
  O  O38  1  0.347  0.145  0.342  1.0
  O  O39  1  0.279  0.194  0.116  1.0
  O  O40  1  0.987  0.720  0.718  1.0
  O  O41  1  0.649  0.089  0.786  1.0
  O  O42  1  0.720  0.987  0.218  1.0
  O  O43  1  0.730  0.019  0.494  1.0
  O  O44  1  0.089  0.649  0.286  1.0
  O  O45  1  0.019  0.730  0.994  1.0
  O  O46  1  0.445  0.381  0.594  1.0
  O  O47  1  0.343  0.524  0.866  1.0
  O  O48  1  0.381  0.445  0.094  1.0
  O  O49  1  0.524  0.343  0.366  1.0
  O  O50  1  0.794  0.225  0.531  1.0
  O  O51  1  0.225  0.794  0.031  1.0
[/CIF]
.