The material structure described by LiSbP2O7 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), and one O(6) atom to form distorted LiO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Sb(1)O6 octahedra. Sb(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(7) atoms to form distorted SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with three equivalent Li(1)O5 square pyramids, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-57°. 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 Sb(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Sb(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiSbP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.136
_cell_length_b   7.231
_cell_length_c   9.190
_cell_angle_alpha   67.504
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   560.890
_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  0.047  0.711  0.176  1.0
  Li  Li1  1  0.453  0.711  0.676  1.0
  Li  Li2  1  0.953  0.289  0.824  1.0
  Li  Li3  1  0.547  0.289  0.324  1.0
  Sb  Sb4  1  0.911  0.252  0.386  1.0
  Sb  Sb5  1  0.089  0.748  0.614  1.0
  Sb  Sb6  1  0.411  0.748  0.114  1.0
  Sb  Sb7  1  0.589  0.252  0.886  1.0
  P  P8  1  0.756  0.931  0.749  1.0
  P  P9  1  0.725  0.532  0.530  1.0
  P  P10  1  0.775  0.532  0.030  1.0
  P  P11  1  0.256  0.069  0.751  1.0
  P  P12  1  0.225  0.468  0.970  1.0
  P  P13  1  0.275  0.468  0.470  1.0
  P  P14  1  0.244  0.069  0.251  1.0
  P  P15  1  0.744  0.931  0.249  1.0
  O  O16  1  0.374  0.472  0.897  1.0
  O  O17  1  0.626  0.528  0.103  1.0
  O  O18  1  0.245  0.888  0.195  1.0
  O  O19  1  0.820  0.748  0.903  1.0
  O  O20  1  0.389  0.121  0.298  1.0
  O  O21  1  0.111  0.121  0.798  1.0
  O  O22  1  0.745  0.112  0.305  1.0
  O  O23  1  0.281  0.617  0.556  1.0
  O  O24  1  0.096  0.511  0.852  1.0
  O  O25  1  0.255  0.888  0.695  1.0
  O  O26  1  0.596  0.489  0.648  1.0
  O  O27  1  0.126  0.472  0.397  1.0
  O  O28  1  0.889  0.879  0.202  1.0
  O  O29  1  0.119  0.026  0.372  1.0
  O  O30  1  0.881  0.974  0.628  1.0
  O  O31  1  0.874  0.528  0.603  1.0
  O  O32  1  0.320  0.252  0.597  1.0
  O  O33  1  0.755  0.112  0.805  1.0
  O  O34  1  0.611  0.879  0.702  1.0
  O  O35  1  0.904  0.489  0.148  1.0
  O  O36  1  0.719  0.383  0.444  1.0
  O  O37  1  0.781  0.383  0.944  1.0
  O  O38  1  0.180  0.252  0.097  1.0
  O  O39  1  0.619  0.974  0.128  1.0
  O  O40  1  0.404  0.511  0.352  1.0
  O  O41  1  0.219  0.617  0.056  1.0
  O  O42  1  0.381  0.026  0.872  1.0
  O  O43  1  0.680  0.748  0.403  1.0
[/CIF]
.
The material structure described by LiSbP2O7 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), and one O(6) atom to form distorted LiO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Sb(1)O6 octahedra. Sb(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(7) atoms to form distorted SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with three equivalent Li(1)O5 square pyramids, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-57°. 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 Sb(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Sb(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiSbP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.136
_cell_length_b   7.231
_cell_length_c   9.190
_cell_angle_alpha   67.504
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   560.890
_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  0.047  0.711  0.176  1.0
  Li  Li1  1  0.453  0.711  0.676  1.0
  Li  Li2  1  0.953  0.289  0.824  1.0
  Li  Li3  1  0.547  0.289  0.324  1.0
  Sb  Sb4  1  0.911  0.252  0.386  1.0
  Sb  Sb5  1  0.089  0.748  0.614  1.0
  Sb  Sb6  1  0.411  0.748  0.114  1.0
  Sb  Sb7  1  0.589  0.252  0.886  1.0
  P  P8  1  0.756  0.931  0.749  1.0
  P  P9  1  0.725  0.532  0.530  1.0
  P  P10  1  0.775  0.532  0.030  1.0
  P  P11  1  0.256  0.069  0.751  1.0
  P  P12  1  0.225  0.468  0.970  1.0
  P  P13  1  0.275  0.468  0.470  1.0
  P  P14  1  0.244  0.069  0.251  1.0
  P  P15  1  0.744  0.931  0.249  1.0
  O  O16  1  0.374  0.472  0.897  1.0
  O  O17  1  0.626  0.528  0.103  1.0
  O  O18  1  0.245  0.888  0.195  1.0
  O  O19  1  0.820  0.748  0.903  1.0
  O  O20  1  0.389  0.121  0.298  1.0
  O  O21  1  0.111  0.121  0.798  1.0
  O  O22  1  0.745  0.112  0.305  1.0
  O  O23  1  0.281  0.617  0.556  1.0
  O  O24  1  0.096  0.511  0.852  1.0
  O  O25  1  0.255  0.888  0.695  1.0
  O  O26  1  0.596  0.489  0.648  1.0
  O  O27  1  0.126  0.472  0.397  1.0
  O  O28  1  0.889  0.879  0.202  1.0
  O  O29  1  0.119  0.026  0.372  1.0
  O  O30  1  0.881  0.974  0.628  1.0
  O  O31  1  0.874  0.528  0.603  1.0
  O  O32  1  0.320  0.252  0.597  1.0
  O  O33  1  0.755  0.112  0.805  1.0
  O  O34  1  0.611  0.879  0.702  1.0
  O  O35  1  0.904  0.489  0.148  1.0
  O  O36  1  0.719  0.383  0.444  1.0
  O  O37  1  0.781  0.383  0.944  1.0
  O  O38  1  0.180  0.252  0.097  1.0
  O  O39  1  0.619  0.974  0.128  1.0
  O  O40  1  0.404  0.511  0.352  1.0
  O  O41  1  0.219  0.617  0.056  1.0
  O  O42  1  0.381  0.026  0.872  1.0
  O  O43  1  0.680  0.748  0.403  1.0
[/CIF]
.