The crystal structure described by LiBi(PO3)4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(11), one O(2), and one O(3) atom. Bi(1) is bonded to one O(12), one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form distorted BiO7 pentagonal bipyramids that share  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one Bi(1)O7 pentagonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O7 pentagonal bipyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the third P site, P(3) is bonded to one O(10), one O(12), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O7 pentagonal bipyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(1)O7 pentagonal bipyramid,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 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(1) and one P(2) 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(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to 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 P(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Bi(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Bi(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Bi(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Li(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Bi(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiBi(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.238
_cell_length_b   6.982
_cell_length_c   7.558
_cell_angle_alpha   85.818
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   486.208
_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  0.978  0.782  0.785  1.0
  Li  Li1  1  0.478  0.218  0.215  1.0
  Bi  Bi2  1  0.636  0.756  0.268  1.0
  Bi  Bi3  1  0.136  0.244  0.732  1.0
  P  P4  1  0.639  0.007  0.579  1.0
  P  P5  1  0.438  0.902  0.879  1.0
  P  P6  1  0.270  0.605  0.407  1.0
  P  P7  1  0.609  0.549  0.911  1.0
  P  P8  1  0.109  0.451  0.089  1.0
  P  P9  1  0.770  0.395  0.593  1.0
  P  P10  1  0.938  0.098  0.121  1.0
  P  P11  1  0.139  0.993  0.421  1.0
  O  O12  1  0.060  0.976  0.235  1.0
  O  O13  1  0.470  0.932  0.072  1.0
  O  O14  1  0.039  0.950  0.578  1.0
  O  O15  1  0.292  0.961  0.808  1.0
  O  O16  1  0.260  0.835  0.401  1.0
  O  O17  1  0.715  0.817  0.569  1.0
  O  O18  1  0.472  0.683  0.837  1.0
  O  O19  1  0.727  0.682  0.970  1.0
  O  O20  1  0.222  0.531  0.589  1.0
  O  O21  1  0.149  0.557  0.263  1.0
  O  O22  1  0.055  0.596  0.950  1.0
  O  O23  1  0.421  0.565  0.345  1.0
  O  O24  1  0.921  0.435  0.655  1.0
  O  O25  1  0.555  0.404  0.050  1.0
  O  O26  1  0.649  0.443  0.737  1.0
  O  O27  1  0.722  0.469  0.411  1.0
  O  O28  1  0.227  0.318  0.030  1.0
  O  O29  1  0.972  0.317  0.163  1.0
  O  O30  1  0.215  0.183  0.431  1.0
  O  O31  1  0.760  0.165  0.599  1.0
  O  O32  1  0.792  0.039  0.192  1.0
  O  O33  1  0.539  0.050  0.422  1.0
  O  O34  1  0.970  0.068  0.928  1.0
  O  O35  1  0.560  0.024  0.765  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 3-coordinate geometry to one O(11), one O(2), and one O(3) atom. Bi(1) is bonded to one O(12), one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form distorted BiO7 pentagonal bipyramids that share  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one Bi(1)O7 pentagonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O7 pentagonal bipyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the third P site, P(3) is bonded to one O(10), one O(12), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O7 pentagonal bipyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(1)O7 pentagonal bipyramid,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 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(1) and one P(2) 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(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to 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 P(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Bi(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Bi(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Bi(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Li(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Bi(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiBi(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.238
_cell_length_b   6.982
_cell_length_c   7.558
_cell_angle_alpha   85.818
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   486.208
_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  0.978  0.782  0.785  1.0
  Li  Li1  1  0.478  0.218  0.215  1.0
  Bi  Bi2  1  0.636  0.756  0.268  1.0
  Bi  Bi3  1  0.136  0.244  0.732  1.0
  P  P4  1  0.639  0.007  0.579  1.0
  P  P5  1  0.438  0.902  0.879  1.0
  P  P6  1  0.270  0.605  0.407  1.0
  P  P7  1  0.609  0.549  0.911  1.0
  P  P8  1  0.109  0.451  0.089  1.0
  P  P9  1  0.770  0.395  0.593  1.0
  P  P10  1  0.938  0.098  0.121  1.0
  P  P11  1  0.139  0.993  0.421  1.0
  O  O12  1  0.060  0.976  0.235  1.0
  O  O13  1  0.470  0.932  0.072  1.0
  O  O14  1  0.039  0.950  0.578  1.0
  O  O15  1  0.292  0.961  0.808  1.0
  O  O16  1  0.260  0.835  0.401  1.0
  O  O17  1  0.715  0.817  0.569  1.0
  O  O18  1  0.472  0.683  0.837  1.0
  O  O19  1  0.727  0.682  0.970  1.0
  O  O20  1  0.222  0.531  0.589  1.0
  O  O21  1  0.149  0.557  0.263  1.0
  O  O22  1  0.055  0.596  0.950  1.0
  O  O23  1  0.421  0.565  0.345  1.0
  O  O24  1  0.921  0.435  0.655  1.0
  O  O25  1  0.555  0.404  0.050  1.0
  O  O26  1  0.649  0.443  0.737  1.0
  O  O27  1  0.722  0.469  0.411  1.0
  O  O28  1  0.227  0.318  0.030  1.0
  O  O29  1  0.972  0.317  0.163  1.0
  O  O30  1  0.215  0.183  0.431  1.0
  O  O31  1  0.760  0.165  0.599  1.0
  O  O32  1  0.792  0.039  0.192  1.0
  O  O33  1  0.539  0.050  0.422  1.0
  O  O34  1  0.970  0.068  0.928  1.0
  O  O35  1  0.560  0.024  0.765  1.0
[/CIF]
.