The crystal structure described by Li3Sb(PO4)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Li(2)O6 octahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-62°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Sb(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Sb(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Sb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   5.172
_cell_length_c   6.326
_cell_angle_alpha   88.655
_cell_angle_beta   88.655
_cell_angle_gamma   67.081
_symmetry_Int_Tables_number   1
_cell_volume   155.805
_cell_formula_units_Z   1
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  0.662  0.662  0.705  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.338  0.338  0.295  1.0
  Sb  Sb3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.648  0.648  0.240  1.0
  P  P5  1  0.352  0.352  0.760  1.0
  O  O6  1  0.237  0.237  0.581  1.0
  O  O7  1  0.271  0.271  0.981  1.0
  O  O8  1  0.315  0.753  0.258  1.0
  O  O9  1  0.753  0.315  0.258  1.0
  O  O10  1  0.247  0.685  0.742  1.0
  O  O11  1  0.685  0.247  0.742  1.0
  O  O12  1  0.729  0.729  0.019  1.0
  O  O13  1  0.763  0.763  0.419  1.0
[/CIF]
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The crystal structure described by Li3Sb(PO4)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Li(2)O6 octahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-62°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Sb(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Sb(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Sb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   5.172
_cell_length_c   6.326
_cell_angle_alpha   88.655
_cell_angle_beta   88.655
_cell_angle_gamma   67.081
_symmetry_Int_Tables_number   1
_cell_volume   155.805
_cell_formula_units_Z   1
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  0.662  0.662  0.705  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.338  0.338  0.295  1.0
  Sb  Sb3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.648  0.648  0.240  1.0
  P  P5  1  0.352  0.352  0.760  1.0
  O  O6  1  0.237  0.237  0.581  1.0
  O  O7  1  0.271  0.271  0.981  1.0
  O  O8  1  0.315  0.753  0.258  1.0
  O  O9  1  0.753  0.315  0.258  1.0
  O  O10  1  0.247  0.685  0.742  1.0
  O  O11  1  0.685  0.247  0.742  1.0
  O  O12  1  0.729  0.729  0.019  1.0
  O  O13  1  0.763  0.763  0.419  1.0
[/CIF]
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