The material described by Li3SbO4 is Caswellsilverite-like structured and crystallizes in the monoclinic P2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. In the third Li site, Li(3) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. Sb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Sb(1) atoms to form distorted OLi4Sb2 octahedra that share corners with two equivalent O(1)Li4Sb2 octahedra, corners with four equivalent O(2)Li5Sb octahedra, edges with six equivalent O(1)Li4Sb2 octahedra, and edges with six equivalent O(2)Li5Sb octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(2), and one Sb(1) atom to form OLi5Sb octahedra that share corners with two equivalent O(2)Li5Sb octahedra, corners with four equivalent O(1)Li4Sb2 octahedra, edges with six equivalent O(1)Li4Sb2 octahedra, and edges with six equivalent O(2)Li5Sb octahedra. The corner-sharing octahedral tilt angles range from 6-23°. is represented by the CIF card [CIF]
data_Li3SbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.105
_cell_length_b   5.098
_cell_length_c   6.067
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.579
_symmetry_Int_Tables_number   1
_cell_volume   149.674
_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  0.750  0.500  0.572  1.0
  Li  Li1  1  0.250  0.500  0.428  1.0
  Li  Li2  1  0.750  0.000  0.390  1.0
  Li  Li3  1  0.250  0.000  0.610  1.0
  Li  Li4  1  0.250  0.500  0.852  1.0
  Li  Li5  1  0.750  0.500  0.148  1.0
  Sb  Sb6  1  0.750  0.000  0.855  1.0
  Sb  Sb7  1  0.250  0.000  0.145  1.0
  O  O8  1  0.494  0.225  0.898  1.0
  O  O9  1  0.478  0.246  0.362  1.0
  O  O10  1  0.978  0.246  0.638  1.0
  O  O11  1  0.522  0.754  0.638  1.0
  O  O12  1  0.506  0.775  0.102  1.0
  O  O13  1  0.994  0.225  0.102  1.0
  O  O14  1  0.022  0.754  0.362  1.0
  O  O15  1  0.006  0.775  0.898  1.0
[/CIF]
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The material described by Li3SbO4 is Caswellsilverite-like structured and crystallizes in the monoclinic P2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. In the third Li site, Li(3) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. Sb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Sb(1) atoms to form distorted OLi4Sb2 octahedra that share corners with two equivalent O(1)Li4Sb2 octahedra, corners with four equivalent O(2)Li5Sb octahedra, edges with six equivalent O(1)Li4Sb2 octahedra, and edges with six equivalent O(2)Li5Sb octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(2), and one Sb(1) atom to form OLi5Sb octahedra that share corners with two equivalent O(2)Li5Sb octahedra, corners with four equivalent O(1)Li4Sb2 octahedra, edges with six equivalent O(1)Li4Sb2 octahedra, and edges with six equivalent O(2)Li5Sb octahedra. The corner-sharing octahedral tilt angles range from 6-23°. is represented by the CIF card [CIF]
data_Li3SbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.105
_cell_length_b   5.098
_cell_length_c   6.067
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.579
_symmetry_Int_Tables_number   1
_cell_volume   149.674
_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  0.750  0.500  0.572  1.0
  Li  Li1  1  0.250  0.500  0.428  1.0
  Li  Li2  1  0.750  0.000  0.390  1.0
  Li  Li3  1  0.250  0.000  0.610  1.0
  Li  Li4  1  0.250  0.500  0.852  1.0
  Li  Li5  1  0.750  0.500  0.148  1.0
  Sb  Sb6  1  0.750  0.000  0.855  1.0
  Sb  Sb7  1  0.250  0.000  0.145  1.0
  O  O8  1  0.494  0.225  0.898  1.0
  O  O9  1  0.478  0.246  0.362  1.0
  O  O10  1  0.978  0.246  0.638  1.0
  O  O11  1  0.522  0.754  0.638  1.0
  O  O12  1  0.506  0.775  0.102  1.0
  O  O13  1  0.994  0.225  0.102  1.0
  O  O14  1  0.022  0.754  0.362  1.0
  O  O15  1  0.006  0.775  0.898  1.0
[/CIF]
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