The structure described by LiBiP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Bi(1)O6 pentagonal pyramids, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Bi(1)O6 pentagonal pyramid. Bi(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted BiO6 pentagonal pyramids that share corners with three equivalent Li(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-71°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Bi(1)O6 pentagonal pyramids, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-60°. In the second P site, P(2) 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 Li(1)O6 octahedra, corners with two equivalent Bi(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra, and  an edgeedge with one Bi(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 39-63°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Bi(1), and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Bi(1), one P(1), and one P(2) 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(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted 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 3-coordinate geometry to one Li(1), one 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   7.943
_cell_length_b   7.466
_cell_length_c   10.100
_cell_angle_alpha   68.808
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   558.474
_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  0.493  0.755  0.755  1.0
  Li  Li1  1  0.007  0.755  0.255  1.0
  Li  Li2  1  0.993  0.245  0.745  1.0
  Li  Li3  1  0.507  0.245  0.245  1.0
  Bi  Bi4  1  0.028  0.715  0.771  1.0
  Bi  Bi5  1  0.472  0.715  0.271  1.0
  Bi  Bi6  1  0.528  0.285  0.729  1.0
  Bi  Bi7  1  0.972  0.285  0.229  1.0
  P  P8  1  0.243  0.913  0.960  1.0
  P  P9  1  0.257  0.913  0.460  1.0
  P  P10  1  0.778  0.669  0.540  1.0
  P  P11  1  0.278  0.331  0.960  1.0
  P  P12  1  0.722  0.669  0.040  1.0
  P  P13  1  0.222  0.331  0.460  1.0
  P  P14  1  0.743  0.087  0.540  1.0
  P  P15  1  0.757  0.087  0.040  1.0
  O  O16  1  0.568  0.054  0.609  1.0
  O  O17  1  0.364  0.826  0.887  1.0
  O  O18  1  0.822  0.870  0.567  1.0
  O  O19  1  0.728  0.704  0.883  1.0
  O  O20  1  0.259  0.813  0.624  1.0
  O  O21  1  0.932  0.054  0.109  1.0
  O  O22  1  0.136  0.826  0.387  1.0
  O  O23  1  0.604  0.600  0.611  1.0
  O  O24  1  0.678  0.870  0.067  1.0
  O  O25  1  0.421  0.452  0.868  1.0
  O  O26  1  0.772  0.704  0.383  1.0
  O  O27  1  0.241  0.813  0.124  1.0
  O  O28  1  0.921  0.548  0.632  1.0
  O  O29  1  0.104  0.400  0.889  1.0
  O  O30  1  0.896  0.600  0.111  1.0
  O  O31  1  0.079  0.452  0.368  1.0
  O  O32  1  0.759  0.187  0.876  1.0
  O  O33  1  0.228  0.296  0.617  1.0
  O  O34  1  0.579  0.548  0.132  1.0
  O  O35  1  0.322  0.130  0.933  1.0
  O  O36  1  0.396  0.400  0.389  1.0
  O  O37  1  0.864  0.174  0.613  1.0
  O  O38  1  0.068  0.946  0.891  1.0
  O  O39  1  0.741  0.187  0.376  1.0
  O  O40  1  0.272  0.296  0.117  1.0
  O  O41  1  0.178  0.130  0.433  1.0
  O  O42  1  0.636  0.174  0.113  1.0
  O  O43  1  0.432  0.946  0.391  1.0
[/CIF]
.
The structure described by LiBiP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Bi(1)O6 pentagonal pyramids, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Bi(1)O6 pentagonal pyramid. Bi(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted BiO6 pentagonal pyramids that share corners with three equivalent Li(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-71°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Bi(1)O6 pentagonal pyramids, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-60°. In the second P site, P(2) 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 Li(1)O6 octahedra, corners with two equivalent Bi(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra, and  an edgeedge with one Bi(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 39-63°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Bi(1), and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Bi(1), one P(1), and one P(2) 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(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted 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 3-coordinate geometry to one Li(1), one 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   7.943
_cell_length_b   7.466
_cell_length_c   10.100
_cell_angle_alpha   68.808
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   558.474
_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  0.493  0.755  0.755  1.0
  Li  Li1  1  0.007  0.755  0.255  1.0
  Li  Li2  1  0.993  0.245  0.745  1.0
  Li  Li3  1  0.507  0.245  0.245  1.0
  Bi  Bi4  1  0.028  0.715  0.771  1.0
  Bi  Bi5  1  0.472  0.715  0.271  1.0
  Bi  Bi6  1  0.528  0.285  0.729  1.0
  Bi  Bi7  1  0.972  0.285  0.229  1.0
  P  P8  1  0.243  0.913  0.960  1.0
  P  P9  1  0.257  0.913  0.460  1.0
  P  P10  1  0.778  0.669  0.540  1.0
  P  P11  1  0.278  0.331  0.960  1.0
  P  P12  1  0.722  0.669  0.040  1.0
  P  P13  1  0.222  0.331  0.460  1.0
  P  P14  1  0.743  0.087  0.540  1.0
  P  P15  1  0.757  0.087  0.040  1.0
  O  O16  1  0.568  0.054  0.609  1.0
  O  O17  1  0.364  0.826  0.887  1.0
  O  O18  1  0.822  0.870  0.567  1.0
  O  O19  1  0.728  0.704  0.883  1.0
  O  O20  1  0.259  0.813  0.624  1.0
  O  O21  1  0.932  0.054  0.109  1.0
  O  O22  1  0.136  0.826  0.387  1.0
  O  O23  1  0.604  0.600  0.611  1.0
  O  O24  1  0.678  0.870  0.067  1.0
  O  O25  1  0.421  0.452  0.868  1.0
  O  O26  1  0.772  0.704  0.383  1.0
  O  O27  1  0.241  0.813  0.124  1.0
  O  O28  1  0.921  0.548  0.632  1.0
  O  O29  1  0.104  0.400  0.889  1.0
  O  O30  1  0.896  0.600  0.111  1.0
  O  O31  1  0.079  0.452  0.368  1.0
  O  O32  1  0.759  0.187  0.876  1.0
  O  O33  1  0.228  0.296  0.617  1.0
  O  O34  1  0.579  0.548  0.132  1.0
  O  O35  1  0.322  0.130  0.933  1.0
  O  O36  1  0.396  0.400  0.389  1.0
  O  O37  1  0.864  0.174  0.613  1.0
  O  O38  1  0.068  0.946  0.891  1.0
  O  O39  1  0.741  0.187  0.376  1.0
  O  O40  1  0.272  0.296  0.117  1.0
  O  O41  1  0.178  0.130  0.433  1.0
  O  O42  1  0.636  0.174  0.113  1.0
  O  O43  1  0.432  0.946  0.391  1.0
[/CIF]
.