The compound described by Li3Bi(PO4)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(6), and two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to one O(5) and two equivalent O(4) atoms. Bi(1) is bonded in a 6-coordinate geometry to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Bi(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(3), one Bi(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(2), one Bi(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Bi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.348
_cell_length_b   6.757
_cell_length_c   9.525
_cell_angle_alpha   83.900
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   342.293
_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  0.750  0.696  0.047  1.0
  Li  Li1  1  0.250  0.470  0.229  1.0
  Li  Li2  1  0.750  0.261  0.463  1.0
  Li  Li3  1  0.250  0.739  0.537  1.0
  Li  Li4  1  0.750  0.530  0.771  1.0
  Li  Li5  1  0.250  0.304  0.953  1.0
  Bi  Bi6  1  0.250  0.012  0.234  1.0
  Bi  Bi7  1  0.750  0.988  0.766  1.0
  P  P8  1  0.750  0.214  0.052  1.0
  P  P9  1  0.750  0.731  0.443  1.0
  P  P10  1  0.250  0.269  0.557  1.0
  P  P11  1  0.250  0.786  0.948  1.0
  O  O12  1  0.750  0.984  0.083  1.0
  O  O13  1  0.250  0.723  0.113  1.0
  O  O14  1  0.509  0.303  0.112  1.0
  O  O15  1  0.991  0.303  0.112  1.0
  O  O16  1  0.508  0.850  0.394  1.0
  O  O17  1  0.992  0.850  0.394  1.0
  O  O18  1  0.750  0.527  0.390  1.0
  O  O19  1  0.250  0.274  0.392  1.0
  O  O20  1  0.750  0.726  0.608  1.0
  O  O21  1  0.250  0.473  0.610  1.0
  O  O22  1  0.008  0.150  0.606  1.0
  O  O23  1  0.492  0.150  0.606  1.0
  O  O24  1  0.009  0.697  0.888  1.0
  O  O25  1  0.491  0.697  0.888  1.0
  O  O26  1  0.750  0.277  0.887  1.0
  O  O27  1  0.250  0.016  0.917  1.0
[/CIF]
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The compound described by Li3Bi(PO4)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(6), and two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to one O(5) and two equivalent O(4) atoms. Bi(1) is bonded in a 6-coordinate geometry to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Bi(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(3), one Bi(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(2), one Bi(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Bi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.348
_cell_length_b   6.757
_cell_length_c   9.525
_cell_angle_alpha   83.900
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   342.293
_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  0.750  0.696  0.047  1.0
  Li  Li1  1  0.250  0.470  0.229  1.0
  Li  Li2  1  0.750  0.261  0.463  1.0
  Li  Li3  1  0.250  0.739  0.537  1.0
  Li  Li4  1  0.750  0.530  0.771  1.0
  Li  Li5  1  0.250  0.304  0.953  1.0
  Bi  Bi6  1  0.250  0.012  0.234  1.0
  Bi  Bi7  1  0.750  0.988  0.766  1.0
  P  P8  1  0.750  0.214  0.052  1.0
  P  P9  1  0.750  0.731  0.443  1.0
  P  P10  1  0.250  0.269  0.557  1.0
  P  P11  1  0.250  0.786  0.948  1.0
  O  O12  1  0.750  0.984  0.083  1.0
  O  O13  1  0.250  0.723  0.113  1.0
  O  O14  1  0.509  0.303  0.112  1.0
  O  O15  1  0.991  0.303  0.112  1.0
  O  O16  1  0.508  0.850  0.394  1.0
  O  O17  1  0.992  0.850  0.394  1.0
  O  O18  1  0.750  0.527  0.390  1.0
  O  O19  1  0.250  0.274  0.392  1.0
  O  O20  1  0.750  0.726  0.608  1.0
  O  O21  1  0.250  0.473  0.610  1.0
  O  O22  1  0.008  0.150  0.606  1.0
  O  O23  1  0.492  0.150  0.606  1.0
  O  O24  1  0.009  0.697  0.888  1.0
  O  O25  1  0.491  0.697  0.888  1.0
  O  O26  1  0.750  0.277  0.887  1.0
  O  O27  1  0.250  0.016  0.917  1.0
[/CIF]
.