The crystal structure described by LiSb(PO4)2 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-50°. Sb(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with four equivalent Li(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-50°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O6 octahedra, corners with three equivalent Li(1)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-58°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-56°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar 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 trigonal planar geometry to one Li(1), one Sb(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Sb(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.901
_cell_length_b   4.895
_cell_length_c   10.044
_cell_angle_alpha   89.322
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   290.086
_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  0.250  0.554  0.773  1.0
  Li  Li1  1  0.750  0.446  0.227  1.0
  Sb  Sb2  1  0.750  0.022  0.723  1.0
  Sb  Sb3  1  0.250  0.978  0.277  1.0
  P  P4  1  0.750  0.595  0.904  1.0
  P  P5  1  0.250  0.073  0.593  1.0
  P  P6  1  0.750  0.927  0.407  1.0
  P  P7  1  0.250  0.405  0.096  1.0
  O  O8  1  0.250  0.365  0.949  1.0
  O  O9  1  0.750  0.281  0.873  1.0
  O  O10  1  0.950  0.748  0.824  1.0
  O  O11  1  0.550  0.748  0.824  1.0
  O  O12  1  0.041  0.216  0.665  1.0
  O  O13  1  0.459  0.216  0.665  1.0
  O  O14  1  0.250  0.769  0.601  1.0
  O  O15  1  0.750  0.810  0.555  1.0
  O  O16  1  0.250  0.190  0.445  1.0
  O  O17  1  0.750  0.231  0.399  1.0
  O  O18  1  0.959  0.784  0.335  1.0
  O  O19  1  0.541  0.784  0.335  1.0
  O  O20  1  0.450  0.252  0.176  1.0
  O  O21  1  0.050  0.252  0.176  1.0
  O  O22  1  0.250  0.719  0.127  1.0
  O  O23  1  0.750  0.635  0.051  1.0
[/CIF]
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The crystal structure described by LiSb(PO4)2 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-50°. Sb(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with four equivalent Li(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-50°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O6 octahedra, corners with three equivalent Li(1)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-58°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-56°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar 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 trigonal planar geometry to one Li(1), one Sb(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Sb(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.901
_cell_length_b   4.895
_cell_length_c   10.044
_cell_angle_alpha   89.322
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   290.086
_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  0.250  0.554  0.773  1.0
  Li  Li1  1  0.750  0.446  0.227  1.0
  Sb  Sb2  1  0.750  0.022  0.723  1.0
  Sb  Sb3  1  0.250  0.978  0.277  1.0
  P  P4  1  0.750  0.595  0.904  1.0
  P  P5  1  0.250  0.073  0.593  1.0
  P  P6  1  0.750  0.927  0.407  1.0
  P  P7  1  0.250  0.405  0.096  1.0
  O  O8  1  0.250  0.365  0.949  1.0
  O  O9  1  0.750  0.281  0.873  1.0
  O  O10  1  0.950  0.748  0.824  1.0
  O  O11  1  0.550  0.748  0.824  1.0
  O  O12  1  0.041  0.216  0.665  1.0
  O  O13  1  0.459  0.216  0.665  1.0
  O  O14  1  0.250  0.769  0.601  1.0
  O  O15  1  0.750  0.810  0.555  1.0
  O  O16  1  0.250  0.190  0.445  1.0
  O  O17  1  0.750  0.231  0.399  1.0
  O  O18  1  0.959  0.784  0.335  1.0
  O  O19  1  0.541  0.784  0.335  1.0
  O  O20  1  0.450  0.252  0.176  1.0
  O  O21  1  0.050  0.252  0.176  1.0
  O  O22  1  0.250  0.719  0.127  1.0
  O  O23  1  0.750  0.635  0.051  1.0
[/CIF]
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