The material structure described by LiSbP(OF3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one F(1), one F(3), and one F(6) atom to form distorted LiOF3 trigonal pyramids that share  a cornercorner with one Sb(2)O2F4 octahedra and corners with two equivalent P(2)O2F2 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one F(10), one F(2), one F(7), one F(8), and one F(9) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(4), one F(7), and one F(8) atom. In the second Sb site, Sb(2) is bonded to one O(2), one O(4), one F(12), one F(5), one F(6), and one F(9) atom to form SbO2F4 octahedra that share  a cornercorner with one P(1)O2F2 tetrahedra,  a cornercorner with one P(2)O2F2 tetrahedra, and  a cornercorner with one Li(1)OF3 trigonal pyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one F(10), and one F(2) atom to form PO2F2 tetrahedra that share  a cornercorner with one Sb(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second P site, P(2) is bonded to one O(3), one O(4), one F(11), and one F(3) atom to form PO2F2 tetrahedra that share  a cornercorner with one Sb(2)O2F4 octahedra and corners with two equivalent Li(1)OF3 trigonal pyramids. The corner-sharing octahedral tilt angles are 46°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Sb(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sb(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sb(2) and one P(2) atom. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Li(1) and one Sb(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Li(2) and one P(1) atom. In the third F site, F(3) is bonded in a linear geometry to one Li(1) and one P(2) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Sb(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Sb(2) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Li(1) and one Sb(2) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Li(2) and one Sb(1) atom. In the eighth F site, F(8) is bonded in a distorted linear geometry to one Li(2) and one Sb(1) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Li(2) and one Sb(2) atom. In the tenth F site, F(10) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one P(1) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one P(2) atom. In the twelfth F site, F(12) is bonded in a single-bond geometry to one Sb(2) atom. is represented by the CIF file [CIF]
data_LiSbP(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.136
_cell_length_b   7.621
_cell_length_c   8.084
_cell_angle_alpha   91.352
_cell_angle_beta   104.368
_cell_angle_gamma   95.195
_symmetry_Int_Tables_number   1
_cell_volume   364.252
_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  0.273  0.362  0.060  1.0
  Li  Li1  1  0.642  0.745  0.680  1.0
  Sb  Sb2  1  0.476  0.252  0.738  1.0
  Sb  Sb3  1  0.574  0.776  0.215  1.0
  P  P4  1  0.230  0.829  0.838  1.0
  P  P5  1  0.763  0.191  0.213  1.0
  O  O6  1  0.199  0.018  0.834  1.0
  O  O7  1  0.436  0.759  0.961  1.0
  O  O8  1  0.558  0.262  0.113  1.0
  O  O9  1  0.782  0.992  0.202  1.0
  F  F10  1  0.235  0.377  0.822  1.0
  F  F11  1  0.225  0.739  0.662  1.0
  F  F12  1  0.979  0.269  0.158  1.0
  F  F13  1  0.288  0.216  0.507  1.0
  F  F14  1  0.349  0.918  0.250  1.0
  F  F15  1  0.378  0.566  0.229  1.0
  F  F16  1  0.594  0.499  0.673  1.0
  F  F17  1  0.597  0.975  0.721  1.0
  F  F18  1  0.710  0.776  0.456  1.0
  F  F19  1  0.017  0.721  0.874  1.0
  F  F20  1  0.822  0.252  0.404  1.0
  F  F21  1  0.801  0.642  0.172  1.0
[/CIF]
.
The material structure described by LiSbP(OF3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one F(1), one F(3), and one F(6) atom to form distorted LiOF3 trigonal pyramids that share  a cornercorner with one Sb(2)O2F4 octahedra and corners with two equivalent P(2)O2F2 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one F(10), one F(2), one F(7), one F(8), and one F(9) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(4), one F(7), and one F(8) atom. In the second Sb site, Sb(2) is bonded to one O(2), one O(4), one F(12), one F(5), one F(6), and one F(9) atom to form SbO2F4 octahedra that share  a cornercorner with one P(1)O2F2 tetrahedra,  a cornercorner with one P(2)O2F2 tetrahedra, and  a cornercorner with one Li(1)OF3 trigonal pyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one F(10), and one F(2) atom to form PO2F2 tetrahedra that share  a cornercorner with one Sb(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second P site, P(2) is bonded to one O(3), one O(4), one F(11), and one F(3) atom to form PO2F2 tetrahedra that share  a cornercorner with one Sb(2)O2F4 octahedra and corners with two equivalent Li(1)OF3 trigonal pyramids. The corner-sharing octahedral tilt angles are 46°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Sb(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sb(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sb(2) and one P(2) atom. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Li(1) and one Sb(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Li(2) and one P(1) atom. In the third F site, F(3) is bonded in a linear geometry to one Li(1) and one P(2) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Sb(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Sb(2) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Li(1) and one Sb(2) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Li(2) and one Sb(1) atom. In the eighth F site, F(8) is bonded in a distorted linear geometry to one Li(2) and one Sb(1) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Li(2) and one Sb(2) atom. In the tenth F site, F(10) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one P(1) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one P(2) atom. In the twelfth F site, F(12) is bonded in a single-bond geometry to one Sb(2) atom. is represented by the CIF file [CIF]
data_LiSbP(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.136
_cell_length_b   7.621
_cell_length_c   8.084
_cell_angle_alpha   91.352
_cell_angle_beta   104.368
_cell_angle_gamma   95.195
_symmetry_Int_Tables_number   1
_cell_volume   364.252
_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  0.273  0.362  0.060  1.0
  Li  Li1  1  0.642  0.745  0.680  1.0
  Sb  Sb2  1  0.476  0.252  0.738  1.0
  Sb  Sb3  1  0.574  0.776  0.215  1.0
  P  P4  1  0.230  0.829  0.838  1.0
  P  P5  1  0.763  0.191  0.213  1.0
  O  O6  1  0.199  0.018  0.834  1.0
  O  O7  1  0.436  0.759  0.961  1.0
  O  O8  1  0.558  0.262  0.113  1.0
  O  O9  1  0.782  0.992  0.202  1.0
  F  F10  1  0.235  0.377  0.822  1.0
  F  F11  1  0.225  0.739  0.662  1.0
  F  F12  1  0.979  0.269  0.158  1.0
  F  F13  1  0.288  0.216  0.507  1.0
  F  F14  1  0.349  0.918  0.250  1.0
  F  F15  1  0.378  0.566  0.229  1.0
  F  F16  1  0.594  0.499  0.673  1.0
  F  F17  1  0.597  0.975  0.721  1.0
  F  F18  1  0.710  0.776  0.456  1.0
  F  F19  1  0.017  0.721  0.874  1.0
  F  F20  1  0.822  0.252  0.404  1.0
  F  F21  1  0.801  0.642  0.172  1.0
[/CIF]
.