The crystal structure described by LiBiP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form distorted BiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-69°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  an edgeedge with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Bi(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 trigonal planar 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 trigonal planar geometry to one Li(1), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Bi(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiBiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.851
_cell_length_b   5.199
_cell_length_c   14.334
_cell_angle_alpha   72.253
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   628.225
_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  0.744  0.593  0.690  1.0
  Li  Li1  1  0.244  0.407  0.810  1.0
  Li  Li2  1  0.756  0.593  0.190  1.0
  Li  Li3  1  0.256  0.407  0.310  1.0
  Bi  Bi4  1  0.647  0.891  0.386  1.0
  Bi  Bi5  1  0.147  0.109  0.114  1.0
  Bi  Bi6  1  0.853  0.891  0.886  1.0
  Bi  Bi7  1  0.353  0.109  0.614  1.0
  P  P8  1  0.782  0.239  0.040  1.0
  P  P9  1  0.040  0.907  0.319  1.0
  P  P10  1  0.540  0.093  0.181  1.0
  P  P11  1  0.282  0.761  0.460  1.0
  P  P12  1  0.718  0.239  0.540  1.0
  P  P13  1  0.460  0.907  0.819  1.0
  P  P14  1  0.960  0.093  0.681  1.0
  P  P15  1  0.218  0.761  0.960  1.0
  O  O16  1  0.938  0.789  0.732  1.0
  O  O17  1  0.635  0.241  0.240  1.0
  O  O18  1  0.181  0.490  0.944  1.0
  O  O19  1  0.378  0.999  0.398  1.0
  O  O20  1  0.378  0.196  0.167  1.0
  O  O21  1  0.606  0.167  0.071  1.0
  O  O22  1  0.284  0.742  0.569  1.0
  O  O23  1  0.106  0.833  0.429  1.0
  O  O24  1  0.784  0.258  0.931  1.0
  O  O25  1  0.878  0.804  0.333  1.0
  O  O26  1  0.878  0.001  0.102  1.0
  O  O27  1  0.135  0.759  0.260  1.0
  O  O28  1  0.681  0.510  0.556  1.0
  O  O29  1  0.438  0.211  0.768  1.0
  O  O30  1  0.562  0.789  0.232  1.0
  O  O31  1  0.319  0.490  0.444  1.0
  O  O32  1  0.865  0.241  0.740  1.0
  O  O33  1  0.122  0.999  0.898  1.0
  O  O34  1  0.122  0.196  0.667  1.0
  O  O35  1  0.216  0.742  0.069  1.0
  O  O36  1  0.894  0.167  0.571  1.0
  O  O37  1  0.716  0.258  0.431  1.0
  O  O38  1  0.394  0.833  0.929  1.0
  O  O39  1  0.622  0.804  0.833  1.0
  O  O40  1  0.622  0.001  0.602  1.0
  O  O41  1  0.819  0.510  0.056  1.0
  O  O42  1  0.365  0.759  0.760  1.0
  O  O43  1  0.062  0.211  0.268  1.0
[/CIF]
.
The crystal structure described by LiBiP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form distorted BiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-69°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  an edgeedge with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Bi(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 trigonal planar 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 trigonal planar geometry to one Li(1), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Bi(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiBiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.851
_cell_length_b   5.199
_cell_length_c   14.334
_cell_angle_alpha   72.253
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   628.225
_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  0.744  0.593  0.690  1.0
  Li  Li1  1  0.244  0.407  0.810  1.0
  Li  Li2  1  0.756  0.593  0.190  1.0
  Li  Li3  1  0.256  0.407  0.310  1.0
  Bi  Bi4  1  0.647  0.891  0.386  1.0
  Bi  Bi5  1  0.147  0.109  0.114  1.0
  Bi  Bi6  1  0.853  0.891  0.886  1.0
  Bi  Bi7  1  0.353  0.109  0.614  1.0
  P  P8  1  0.782  0.239  0.040  1.0
  P  P9  1  0.040  0.907  0.319  1.0
  P  P10  1  0.540  0.093  0.181  1.0
  P  P11  1  0.282  0.761  0.460  1.0
  P  P12  1  0.718  0.239  0.540  1.0
  P  P13  1  0.460  0.907  0.819  1.0
  P  P14  1  0.960  0.093  0.681  1.0
  P  P15  1  0.218  0.761  0.960  1.0
  O  O16  1  0.938  0.789  0.732  1.0
  O  O17  1  0.635  0.241  0.240  1.0
  O  O18  1  0.181  0.490  0.944  1.0
  O  O19  1  0.378  0.999  0.398  1.0
  O  O20  1  0.378  0.196  0.167  1.0
  O  O21  1  0.606  0.167  0.071  1.0
  O  O22  1  0.284  0.742  0.569  1.0
  O  O23  1  0.106  0.833  0.429  1.0
  O  O24  1  0.784  0.258  0.931  1.0
  O  O25  1  0.878  0.804  0.333  1.0
  O  O26  1  0.878  0.001  0.102  1.0
  O  O27  1  0.135  0.759  0.260  1.0
  O  O28  1  0.681  0.510  0.556  1.0
  O  O29  1  0.438  0.211  0.768  1.0
  O  O30  1  0.562  0.789  0.232  1.0
  O  O31  1  0.319  0.490  0.444  1.0
  O  O32  1  0.865  0.241  0.740  1.0
  O  O33  1  0.122  0.999  0.898  1.0
  O  O34  1  0.122  0.196  0.667  1.0
  O  O35  1  0.216  0.742  0.069  1.0
  O  O36  1  0.894  0.167  0.571  1.0
  O  O37  1  0.716  0.258  0.431  1.0
  O  O38  1  0.394  0.833  0.929  1.0
  O  O39  1  0.622  0.804  0.833  1.0
  O  O40  1  0.622  0.001  0.602  1.0
  O  O41  1  0.819  0.510  0.056  1.0
  O  O42  1  0.365  0.759  0.760  1.0
  O  O43  1  0.062  0.211  0.268  1.0
[/CIF]
.