The structure described by Li3Bi(PO4)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and corners with three equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 56-77°. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Bi(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and corners with six equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 71°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. 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 three equivalent Bi(1)O6 octahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 41-74°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Bi(1), and one P(1) atom to form distorted OLi2BiP tetrahedra that share corners with two equivalent O(1)Li2BiP tetrahedra and corners with five equivalent O(3)Li3P tetrahedra. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one P(1) atom. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and one P(1) atom to form OLi3P tetrahedra that share corners with three equivalent O(3)Li3P tetrahedra and corners with five equivalent O(1)Li2BiP tetrahedra. 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. is represented by the CIF file [CIF]
data_Li3Bi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.204
_cell_length_b   5.204
_cell_length_c   15.144
_cell_angle_alpha   83.441
_cell_angle_beta   83.441
_cell_angle_gamma   54.373
_symmetry_Int_Tables_number   1
_cell_volume   330.636
_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  0.354  0.294  0.180  1.0
  Li  Li1  1  0.294  0.354  0.680  1.0
  Li  Li2  1  0.706  0.646  0.320  1.0
  Li  Li3  1  0.646  0.706  0.820  1.0
  Li  Li4  1  0.049  0.951  0.250  1.0
  Li  Li5  1  0.951  0.049  0.750  1.0
  Bi  Bi6  1  0.000  0.000  0.000  1.0
  Bi  Bi7  1  0.000  0.000  0.500  1.0
  P  P8  1  0.376  0.312  0.374  1.0
  P  P9  1  0.312  0.376  0.874  1.0
  P  P10  1  0.688  0.624  0.126  1.0
  P  P11  1  0.624  0.688  0.626  1.0
  O  O12  1  0.726  0.212  0.352  1.0
  O  O13  1  0.212  0.726  0.852  1.0
  O  O14  1  0.253  0.493  0.459  1.0
  O  O15  1  0.493  0.253  0.959  1.0
  O  O16  1  0.165  0.511  0.295  1.0
  O  O17  1  0.995  0.616  0.107  1.0
  O  O18  1  0.511  0.165  0.795  1.0
  O  O19  1  0.616  0.995  0.607  1.0
  O  O20  1  0.384  0.005  0.393  1.0
  O  O21  1  0.489  0.835  0.205  1.0
  O  O22  1  0.005  0.384  0.893  1.0
  O  O23  1  0.835  0.489  0.705  1.0
  O  O24  1  0.507  0.747  0.041  1.0
  O  O25  1  0.747  0.507  0.541  1.0
  O  O26  1  0.788  0.274  0.148  1.0
  O  O27  1  0.274  0.788  0.648  1.0
[/CIF]
.
The structure described by Li3Bi(PO4)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and corners with three equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 56-77°. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Bi(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and corners with six equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 71°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. 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 three equivalent Bi(1)O6 octahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 41-74°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Bi(1), and one P(1) atom to form distorted OLi2BiP tetrahedra that share corners with two equivalent O(1)Li2BiP tetrahedra and corners with five equivalent O(3)Li3P tetrahedra. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one P(1) atom. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and one P(1) atom to form OLi3P tetrahedra that share corners with three equivalent O(3)Li3P tetrahedra and corners with five equivalent O(1)Li2BiP tetrahedra. 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. is represented by the CIF file [CIF]
data_Li3Bi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.204
_cell_length_b   5.204
_cell_length_c   15.144
_cell_angle_alpha   83.441
_cell_angle_beta   83.441
_cell_angle_gamma   54.373
_symmetry_Int_Tables_number   1
_cell_volume   330.636
_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  0.354  0.294  0.180  1.0
  Li  Li1  1  0.294  0.354  0.680  1.0
  Li  Li2  1  0.706  0.646  0.320  1.0
  Li  Li3  1  0.646  0.706  0.820  1.0
  Li  Li4  1  0.049  0.951  0.250  1.0
  Li  Li5  1  0.951  0.049  0.750  1.0
  Bi  Bi6  1  0.000  0.000  0.000  1.0
  Bi  Bi7  1  0.000  0.000  0.500  1.0
  P  P8  1  0.376  0.312  0.374  1.0
  P  P9  1  0.312  0.376  0.874  1.0
  P  P10  1  0.688  0.624  0.126  1.0
  P  P11  1  0.624  0.688  0.626  1.0
  O  O12  1  0.726  0.212  0.352  1.0
  O  O13  1  0.212  0.726  0.852  1.0
  O  O14  1  0.253  0.493  0.459  1.0
  O  O15  1  0.493  0.253  0.959  1.0
  O  O16  1  0.165  0.511  0.295  1.0
  O  O17  1  0.995  0.616  0.107  1.0
  O  O18  1  0.511  0.165  0.795  1.0
  O  O19  1  0.616  0.995  0.607  1.0
  O  O20  1  0.384  0.005  0.393  1.0
  O  O21  1  0.489  0.835  0.205  1.0
  O  O22  1  0.005  0.384  0.893  1.0
  O  O23  1  0.835  0.489  0.705  1.0
  O  O24  1  0.507  0.747  0.041  1.0
  O  O25  1  0.747  0.507  0.541  1.0
  O  O26  1  0.788  0.274  0.148  1.0
  O  O27  1  0.274  0.788  0.648  1.0
[/CIF]
.