The material described by Li3Ni3SbO8 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. Sb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share corners with six equivalent O(1)Li3Ni3 octahedra, edges with four equivalent O(2)Li2Ni2Sb square pyramids, edges with four equivalent O(3)Li2Ni2Sb square pyramids, and edges with four equivalent O(4)Li2Ni2Sb square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Ni(2), one Ni(3), and one Sb(1) atom to form OLi2Ni2Sb square pyramids that share corners with two equivalent O(3)Li2Ni2Sb square pyramids, corners with two equivalent O(4)Li2Ni2Sb square pyramids, corners with five equivalent O(2)Li2Ni2Sb square pyramids, edges with four equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(3)Li2Ni2Sb square pyramids, and edges with two equivalent O(4)Li2Ni2Sb square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Ni(1), one Ni(3), and one Sb(1) atom to form OLi2Ni2Sb square pyramids that share corners with two equivalent O(2)Li2Ni2Sb square pyramids, corners with two equivalent O(4)Li2Ni2Sb square pyramids, corners with five equivalent O(3)Li2Ni2Sb square pyramids, edges with four equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(2)Li2Ni2Sb square pyramids, and edges with two equivalent O(4)Li2Ni2Sb square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Sb(1) atom to form OLi2Ni2Sb square pyramids that share corners with two equivalent O(2)Li2Ni2Sb square pyramids, corners with two equivalent O(3)Li2Ni2Sb square pyramids, corners with five equivalent O(4)Li2Ni2Sb square pyramids, edges with four equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(2)Li2Ni2Sb square pyramids, and edges with two equivalent O(3)Li2Ni2Sb square pyramids. is represented by the CIF file [CIF]
data_Li3Ni3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.418
_cell_length_b   10.423
_cell_length_c   14.768
_cell_angle_alpha   19.236
_cell_angle_beta   19.233
_cell_angle_gamma   33.111
_symmetry_Int_Tables_number   1
_cell_volume   151.105
_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  1.000  0.500  0.500  1.0
  Li  Li1  1  0.500  1.000  0.500  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.500  1.000  1.0
  Ni  Ni4  1  0.500  0.000  1.000  1.0
  Ni  Ni5  1  0.500  0.500  0.000  1.0
  Sb  Sb6  1  0.000  1.000  1.000  1.0
  O  O7  1  0.994  0.996  0.273  1.0
  O  O8  1  0.006  0.524  0.237  1.0
  O  O9  1  0.524  0.003  0.239  1.0
  O  O10  1  0.006  0.004  0.727  1.0
  O  O11  1  0.481  0.481  0.283  1.0
  O  O12  1  0.994  0.476  0.763  1.0
  O  O13  1  0.476  0.997  0.761  1.0
  O  O14  1  0.519  0.519  0.717  1.0
[/CIF]
.
The material described by Li3Ni3SbO8 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. Sb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share corners with six equivalent O(1)Li3Ni3 octahedra, edges with four equivalent O(2)Li2Ni2Sb square pyramids, edges with four equivalent O(3)Li2Ni2Sb square pyramids, and edges with four equivalent O(4)Li2Ni2Sb square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Ni(2), one Ni(3), and one Sb(1) atom to form OLi2Ni2Sb square pyramids that share corners with two equivalent O(3)Li2Ni2Sb square pyramids, corners with two equivalent O(4)Li2Ni2Sb square pyramids, corners with five equivalent O(2)Li2Ni2Sb square pyramids, edges with four equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(3)Li2Ni2Sb square pyramids, and edges with two equivalent O(4)Li2Ni2Sb square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Ni(1), one Ni(3), and one Sb(1) atom to form OLi2Ni2Sb square pyramids that share corners with two equivalent O(2)Li2Ni2Sb square pyramids, corners with two equivalent O(4)Li2Ni2Sb square pyramids, corners with five equivalent O(3)Li2Ni2Sb square pyramids, edges with four equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(2)Li2Ni2Sb square pyramids, and edges with two equivalent O(4)Li2Ni2Sb square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Sb(1) atom to form OLi2Ni2Sb square pyramids that share corners with two equivalent O(2)Li2Ni2Sb square pyramids, corners with two equivalent O(3)Li2Ni2Sb square pyramids, corners with five equivalent O(4)Li2Ni2Sb square pyramids, edges with four equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(2)Li2Ni2Sb square pyramids, and edges with two equivalent O(3)Li2Ni2Sb square pyramids. is represented by the CIF file [CIF]
data_Li3Ni3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.418
_cell_length_b   10.423
_cell_length_c   14.768
_cell_angle_alpha   19.236
_cell_angle_beta   19.233
_cell_angle_gamma   33.111
_symmetry_Int_Tables_number   1
_cell_volume   151.105
_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  1.000  0.500  0.500  1.0
  Li  Li1  1  0.500  1.000  0.500  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.500  1.000  1.0
  Ni  Ni4  1  0.500  0.000  1.000  1.0
  Ni  Ni5  1  0.500  0.500  0.000  1.0
  Sb  Sb6  1  0.000  1.000  1.000  1.0
  O  O7  1  0.994  0.996  0.273  1.0
  O  O8  1  0.006  0.524  0.237  1.0
  O  O9  1  0.524  0.003  0.239  1.0
  O  O10  1  0.006  0.004  0.727  1.0
  O  O11  1  0.481  0.481  0.283  1.0
  O  O12  1  0.994  0.476  0.763  1.0
  O  O13  1  0.476  0.997  0.761  1.0
  O  O14  1  0.519  0.519  0.717  1.0
[/CIF]
.