The material structure described by LiSbPHO5 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(5) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Sb(2)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Li(1)O5 square pyramids, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with four equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 62°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 35-60°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Sb(1), one Sb(2), and one H(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Sb(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Sb(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Sb(2), and one P(1) atom. is represented by the CIF card [CIF]
data_LiSbPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   5.842
_cell_length_c   7.958
_cell_angle_alpha   106.052
_cell_angle_beta   107.514
_cell_angle_gamma   97.686
_symmetry_Int_Tables_number   1
_cell_volume   219.438
_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  0.737  0.403  0.819  1.0
  Li  Li1  1  0.263  0.597  0.181  1.0
  Sb  Sb2  1  0.000  0.000  0.500  1.0
  Sb  Sb3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.676  0.376  0.229  1.0
  P  P5  1  0.324  0.624  0.771  1.0
  H  H6  1  0.388  0.048  0.328  1.0
  H  H7  1  0.612  0.952  0.672  1.0
  O  O8  1  0.795  0.069  0.723  1.0
  O  O9  1  0.710  0.214  0.356  1.0
  O  O10  1  0.328  0.358  0.663  1.0
  O  O11  1  0.391  0.276  0.068  1.0
  O  O12  1  0.903  0.377  0.141  1.0
  O  O13  1  0.097  0.623  0.859  1.0
  O  O14  1  0.609  0.724  0.932  1.0
  O  O15  1  0.672  0.642  0.337  1.0
  O  O16  1  0.290  0.786  0.644  1.0
  O  O17  1  0.205  0.931  0.277  1.0
[/CIF]
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The material structure described by LiSbPHO5 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(5) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Sb(2)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Li(1)O5 square pyramids, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with four equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 62°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 35-60°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Sb(1), one Sb(2), and one H(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Sb(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Sb(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Sb(2), and one P(1) atom. is represented by the CIF card [CIF]
data_LiSbPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   5.842
_cell_length_c   7.958
_cell_angle_alpha   106.052
_cell_angle_beta   107.514
_cell_angle_gamma   97.686
_symmetry_Int_Tables_number   1
_cell_volume   219.438
_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  0.737  0.403  0.819  1.0
  Li  Li1  1  0.263  0.597  0.181  1.0
  Sb  Sb2  1  0.000  0.000  0.500  1.0
  Sb  Sb3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.676  0.376  0.229  1.0
  P  P5  1  0.324  0.624  0.771  1.0
  H  H6  1  0.388  0.048  0.328  1.0
  H  H7  1  0.612  0.952  0.672  1.0
  O  O8  1  0.795  0.069  0.723  1.0
  O  O9  1  0.710  0.214  0.356  1.0
  O  O10  1  0.328  0.358  0.663  1.0
  O  O11  1  0.391  0.276  0.068  1.0
  O  O12  1  0.903  0.377  0.141  1.0
  O  O13  1  0.097  0.623  0.859  1.0
  O  O14  1  0.609  0.724  0.932  1.0
  O  O15  1  0.672  0.642  0.337  1.0
  O  O16  1  0.290  0.786  0.644  1.0
  O  O17  1  0.205  0.931  0.277  1.0
[/CIF]
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