The structure described by LiBiP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. Bi(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Bi(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Bi(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Bi(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Bi(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiBiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.364
_cell_length_b   7.571
_cell_length_c   8.070
_cell_angle_alpha   89.331
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   633.178
_cell_formula_units_Z   4
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  0.603  0.308  0.967  1.0
  Li  Li1  1  0.897  0.808  0.967  1.0
  Li  Li2  1  0.103  0.192  0.033  1.0
  Li  Li3  1  0.397  0.692  0.033  1.0
  Bi  Bi4  1  0.354  0.388  0.634  1.0
  Bi  Bi5  1  0.146  0.888  0.634  1.0
  Bi  Bi6  1  0.854  0.112  0.366  1.0
  Bi  Bi7  1  0.646  0.612  0.366  1.0
  P  P8  1  0.406  0.018  0.798  1.0
  P  P9  1  0.094  0.518  0.798  1.0
  P  P10  1  0.961  0.196  0.702  1.0
  P  P11  1  0.539  0.696  0.702  1.0
  P  P12  1  0.461  0.304  0.298  1.0
  P  P13  1  0.039  0.804  0.298  1.0
  P  P14  1  0.906  0.482  0.202  1.0
  P  P15  1  0.594  0.982  0.202  1.0
  O  O16  1  0.186  0.407  0.904  1.0
  O  O17  1  0.314  0.907  0.904  1.0
  O  O18  1  0.459  0.192  0.860  1.0
  O  O19  1  0.041  0.692  0.860  1.0
  O  O20  1  0.023  0.078  0.837  1.0
  O  O21  1  0.477  0.578  0.837  1.0
  O  O22  1  0.967  0.399  0.757  1.0
  O  O23  1  0.533  0.899  0.757  1.0
  O  O24  1  0.821  0.157  0.658  1.0
  O  O25  1  0.679  0.657  0.658  1.0
  O  O26  1  0.336  0.062  0.629  1.0
  O  O27  1  0.164  0.562  0.629  1.0
  O  O28  1  0.046  0.172  0.541  1.0
  O  O29  1  0.454  0.672  0.541  1.0
  O  O30  1  0.546  0.328  0.459  1.0
  O  O31  1  0.954  0.828  0.459  1.0
  O  O32  1  0.836  0.438  0.371  1.0
  O  O33  1  0.664  0.938  0.371  1.0
  O  O34  1  0.321  0.343  0.342  1.0
  O  O35  1  0.179  0.843  0.342  1.0
  O  O36  1  0.467  0.101  0.243  1.0
  O  O37  1  0.033  0.601  0.243  1.0
  O  O38  1  0.523  0.422  0.163  1.0
  O  O39  1  0.977  0.922  0.163  1.0
  O  O40  1  0.959  0.308  0.140  1.0
  O  O41  1  0.541  0.808  0.140  1.0
  O  O42  1  0.686  0.093  0.096  1.0
  O  O43  1  0.814  0.593  0.096  1.0
[/CIF]
.
The structure described by LiBiP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. Bi(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Bi(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Bi(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Bi(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Bi(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiBiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.364
_cell_length_b   7.571
_cell_length_c   8.070
_cell_angle_alpha   89.331
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   633.178
_cell_formula_units_Z   4
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  0.603  0.308  0.967  1.0
  Li  Li1  1  0.897  0.808  0.967  1.0
  Li  Li2  1  0.103  0.192  0.033  1.0
  Li  Li3  1  0.397  0.692  0.033  1.0
  Bi  Bi4  1  0.354  0.388  0.634  1.0
  Bi  Bi5  1  0.146  0.888  0.634  1.0
  Bi  Bi6  1  0.854  0.112  0.366  1.0
  Bi  Bi7  1  0.646  0.612  0.366  1.0
  P  P8  1  0.406  0.018  0.798  1.0
  P  P9  1  0.094  0.518  0.798  1.0
  P  P10  1  0.961  0.196  0.702  1.0
  P  P11  1  0.539  0.696  0.702  1.0
  P  P12  1  0.461  0.304  0.298  1.0
  P  P13  1  0.039  0.804  0.298  1.0
  P  P14  1  0.906  0.482  0.202  1.0
  P  P15  1  0.594  0.982  0.202  1.0
  O  O16  1  0.186  0.407  0.904  1.0
  O  O17  1  0.314  0.907  0.904  1.0
  O  O18  1  0.459  0.192  0.860  1.0
  O  O19  1  0.041  0.692  0.860  1.0
  O  O20  1  0.023  0.078  0.837  1.0
  O  O21  1  0.477  0.578  0.837  1.0
  O  O22  1  0.967  0.399  0.757  1.0
  O  O23  1  0.533  0.899  0.757  1.0
  O  O24  1  0.821  0.157  0.658  1.0
  O  O25  1  0.679  0.657  0.658  1.0
  O  O26  1  0.336  0.062  0.629  1.0
  O  O27  1  0.164  0.562  0.629  1.0
  O  O28  1  0.046  0.172  0.541  1.0
  O  O29  1  0.454  0.672  0.541  1.0
  O  O30  1  0.546  0.328  0.459  1.0
  O  O31  1  0.954  0.828  0.459  1.0
  O  O32  1  0.836  0.438  0.371  1.0
  O  O33  1  0.664  0.938  0.371  1.0
  O  O34  1  0.321  0.343  0.342  1.0
  O  O35  1  0.179  0.843  0.342  1.0
  O  O36  1  0.467  0.101  0.243  1.0
  O  O37  1  0.033  0.601  0.243  1.0
  O  O38  1  0.523  0.422  0.163  1.0
  O  O39  1  0.977  0.922  0.163  1.0
  O  O40  1  0.959  0.308  0.140  1.0
  O  O41  1  0.541  0.808  0.140  1.0
  O  O42  1  0.686  0.093  0.096  1.0
  O  O43  1  0.814  0.593  0.096  1.0
[/CIF]
.