The crystal structure described by LiBi(PO3)4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(5), and one O(9) atom. Bi(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(6), one O(7), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(1), one O(10), one O(3), and one O(9) atom to form corner-sharing PO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Bi(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(1), one Bi(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Bi(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Bi(1), and one P(4) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Li(1), one Bi(1), and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Bi(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiBi(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.544
_cell_length_b   7.221
_cell_length_c   7.991
_cell_angle_alpha   87.727
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   492.574
_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  0.868  0.334  0.386  1.0
  Li  Li1  1  0.368  0.666  0.614  1.0
  Bi  Bi2  1  0.746  0.771  0.232  1.0
  Bi  Bi3  1  0.246  0.229  0.768  1.0
  P  P4  1  0.667  0.101  0.887  1.0
  P  P5  1  0.375  0.567  0.094  1.0
  P  P6  1  0.875  0.433  0.906  1.0
  P  P7  1  0.888  0.014  0.600  1.0
  P  P8  1  0.503  0.377  0.401  1.0
  P  P9  1  0.167  0.899  0.113  1.0
  P  P10  1  0.003  0.623  0.599  1.0
  P  P11  1  0.388  0.986  0.400  1.0
  O  O12  1  0.502  0.159  0.374  1.0
  O  O13  1  0.986  0.189  0.590  1.0
  O  O14  1  0.373  0.450  0.271  1.0
  O  O15  1  0.847  0.566  0.042  1.0
  O  O16  1  0.781  0.994  0.453  1.0
  O  O17  1  0.295  0.005  0.225  1.0
  O  O18  1  0.795  0.995  0.775  1.0
  O  O19  1  0.695  0.030  0.065  1.0
  O  O20  1  0.508  0.087  0.810  1.0
  O  O21  1  0.281  0.006  0.547  1.0
  O  O22  1  0.448  0.419  0.574  1.0
  O  O23  1  0.164  0.559  0.652  1.0
  O  O24  1  0.002  0.841  0.626  1.0
  O  O25  1  0.948  0.581  0.426  1.0
  O  O26  1  0.217  0.683  0.125  1.0
  O  O27  1  0.195  0.970  0.935  1.0
  O  O28  1  0.008  0.913  0.190  1.0
  O  O29  1  0.873  0.550  0.729  1.0
  O  O30  1  0.664  0.441  0.348  1.0
  O  O31  1  0.516  0.690  0.075  1.0
  O  O32  1  0.347  0.434  0.958  1.0
  O  O33  1  0.717  0.317  0.875  1.0
  O  O34  1  0.486  0.811  0.410  1.0
  O  O35  1  0.016  0.310  0.925  1.0
[/CIF]
.
The crystal structure described by LiBi(PO3)4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(5), and one O(9) atom. Bi(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(6), one O(7), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(1), one O(10), one O(3), and one O(9) atom to form corner-sharing PO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Bi(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(1), one Bi(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Bi(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Bi(1), and one P(4) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Li(1), one Bi(1), and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Bi(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiBi(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.544
_cell_length_b   7.221
_cell_length_c   7.991
_cell_angle_alpha   87.727
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   492.574
_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  0.868  0.334  0.386  1.0
  Li  Li1  1  0.368  0.666  0.614  1.0
  Bi  Bi2  1  0.746  0.771  0.232  1.0
  Bi  Bi3  1  0.246  0.229  0.768  1.0
  P  P4  1  0.667  0.101  0.887  1.0
  P  P5  1  0.375  0.567  0.094  1.0
  P  P6  1  0.875  0.433  0.906  1.0
  P  P7  1  0.888  0.014  0.600  1.0
  P  P8  1  0.503  0.377  0.401  1.0
  P  P9  1  0.167  0.899  0.113  1.0
  P  P10  1  0.003  0.623  0.599  1.0
  P  P11  1  0.388  0.986  0.400  1.0
  O  O12  1  0.502  0.159  0.374  1.0
  O  O13  1  0.986  0.189  0.590  1.0
  O  O14  1  0.373  0.450  0.271  1.0
  O  O15  1  0.847  0.566  0.042  1.0
  O  O16  1  0.781  0.994  0.453  1.0
  O  O17  1  0.295  0.005  0.225  1.0
  O  O18  1  0.795  0.995  0.775  1.0
  O  O19  1  0.695  0.030  0.065  1.0
  O  O20  1  0.508  0.087  0.810  1.0
  O  O21  1  0.281  0.006  0.547  1.0
  O  O22  1  0.448  0.419  0.574  1.0
  O  O23  1  0.164  0.559  0.652  1.0
  O  O24  1  0.002  0.841  0.626  1.0
  O  O25  1  0.948  0.581  0.426  1.0
  O  O26  1  0.217  0.683  0.125  1.0
  O  O27  1  0.195  0.970  0.935  1.0
  O  O28  1  0.008  0.913  0.190  1.0
  O  O29  1  0.873  0.550  0.729  1.0
  O  O30  1  0.664  0.441  0.348  1.0
  O  O31  1  0.516  0.690  0.075  1.0
  O  O32  1  0.347  0.434  0.958  1.0
  O  O33  1  0.717  0.317  0.875  1.0
  O  O34  1  0.486  0.811  0.410  1.0
  O  O35  1  0.016  0.310  0.925  1.0
[/CIF]
.