The crystal structure described by LiBi2P3O11 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 3-coordinate geometry to one O(11), one O(6), and one O(7) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(6), and one O(9) atom to form BiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Bi(2)O6 octahedra. In the second Bi site, Bi(2) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), and one O(9) atom to form BiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Bi(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with two equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-64°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the fourth P site, P(4) is bonded to two equivalent O(11) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with two equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-63°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Bi(2) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Bi(1) and one P(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Bi(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Bi(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Li(1), one Bi(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to two equivalent P(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiBi2P3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.891
_cell_length_b   7.891
_cell_length_c   9.635
_cell_angle_alpha   67.257
_cell_angle_beta   67.257
_cell_angle_gamma   73.843
_symmetry_Int_Tables_number   1
_cell_volume   504.421
_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  0.514  0.981  0.269  1.0
  Li  Li1  1  0.019  0.486  0.731  1.0
  Bi  Bi2  1  0.880  0.344  0.195  1.0
  Bi  Bi3  1  0.345  0.879  0.697  1.0
  Bi  Bi4  1  0.656  0.120  0.805  1.0
  Bi  Bi5  1  0.121  0.655  0.303  1.0
  P  P6  1  0.553  0.676  0.019  1.0
  P  P7  1  0.949  0.051  0.000  1.0
  P  P8  1  0.677  0.555  0.515  1.0
  P  P9  1  0.324  0.447  0.981  1.0
  P  P10  1  0.052  0.948  0.500  1.0
  P  P11  1  0.445  0.323  0.485  1.0
  O  O12  1  0.995  0.921  0.151  1.0
  O  O13  1  0.922  0.992  0.651  1.0
  O  O14  1  0.754  0.612  0.016  1.0
  O  O15  1  0.531  0.844  0.871  1.0
  O  O16  1  0.423  0.720  0.172  1.0
  O  O17  1  0.961  0.260  0.970  1.0
  O  O18  1  0.613  0.759  0.504  1.0
  O  O19  1  0.492  0.508  0.000  1.0
  O  O20  1  0.843  0.529  0.368  1.0
  O  O21  1  0.721  0.430  0.668  1.0
  O  O22  1  0.261  0.957  0.474  1.0
  O  O23  1  0.740  0.039  0.030  1.0
  O  O24  1  0.280  0.577  0.828  1.0
  O  O25  1  0.156  0.469  0.129  1.0
  O  O26  1  0.508  0.492  0.500  1.0
  O  O27  1  0.388  0.246  0.984  1.0
  O  O28  1  0.043  0.739  0.526  1.0
  O  O29  1  0.570  0.279  0.332  1.0
  O  O30  1  0.471  0.157  0.632  1.0
  O  O31  1  0.241  0.387  0.496  1.0
  O  O32  1  0.079  0.005  0.849  1.0
  O  O33  1  0.008  0.078  0.349  1.0
[/CIF]
.
The crystal structure described by LiBi2P3O11 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 3-coordinate geometry to one O(11), one O(6), and one O(7) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(6), and one O(9) atom to form BiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Bi(2)O6 octahedra. In the second Bi site, Bi(2) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), and one O(9) atom to form BiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Bi(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with two equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-64°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the fourth P site, P(4) is bonded to two equivalent O(11) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with two equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-63°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Bi(2) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Bi(1) and one P(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Bi(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Bi(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Li(1), one Bi(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to two equivalent P(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiBi2P3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.891
_cell_length_b   7.891
_cell_length_c   9.635
_cell_angle_alpha   67.257
_cell_angle_beta   67.257
_cell_angle_gamma   73.843
_symmetry_Int_Tables_number   1
_cell_volume   504.421
_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  0.514  0.981  0.269  1.0
  Li  Li1  1  0.019  0.486  0.731  1.0
  Bi  Bi2  1  0.880  0.344  0.195  1.0
  Bi  Bi3  1  0.345  0.879  0.697  1.0
  Bi  Bi4  1  0.656  0.120  0.805  1.0
  Bi  Bi5  1  0.121  0.655  0.303  1.0
  P  P6  1  0.553  0.676  0.019  1.0
  P  P7  1  0.949  0.051  0.000  1.0
  P  P8  1  0.677  0.555  0.515  1.0
  P  P9  1  0.324  0.447  0.981  1.0
  P  P10  1  0.052  0.948  0.500  1.0
  P  P11  1  0.445  0.323  0.485  1.0
  O  O12  1  0.995  0.921  0.151  1.0
  O  O13  1  0.922  0.992  0.651  1.0
  O  O14  1  0.754  0.612  0.016  1.0
  O  O15  1  0.531  0.844  0.871  1.0
  O  O16  1  0.423  0.720  0.172  1.0
  O  O17  1  0.961  0.260  0.970  1.0
  O  O18  1  0.613  0.759  0.504  1.0
  O  O19  1  0.492  0.508  0.000  1.0
  O  O20  1  0.843  0.529  0.368  1.0
  O  O21  1  0.721  0.430  0.668  1.0
  O  O22  1  0.261  0.957  0.474  1.0
  O  O23  1  0.740  0.039  0.030  1.0
  O  O24  1  0.280  0.577  0.828  1.0
  O  O25  1  0.156  0.469  0.129  1.0
  O  O26  1  0.508  0.492  0.500  1.0
  O  O27  1  0.388  0.246  0.984  1.0
  O  O28  1  0.043  0.739  0.526  1.0
  O  O29  1  0.570  0.279  0.332  1.0
  O  O30  1  0.471  0.157  0.632  1.0
  O  O31  1  0.241  0.387  0.496  1.0
  O  O32  1  0.079  0.005  0.849  1.0
  O  O33  1  0.008  0.078  0.349  1.0
[/CIF]
.