The material structure described by Li3Ni4SbO8 is alpha Po-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) 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(2)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, 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 4-6°. 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 six equivalent Sb(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Ni(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Ni site, Ni(2) 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(1)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, 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 4-6°. In the third Ni site, Ni(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), two equivalent Ni(2), and one Sb(1) atom to form OLi3Ni2Sb octahedra that share corners with six equivalent O(1)Li3Ni2Sb octahedra, edges with four equivalent O(3)Li2Ni4 octahedra, and edges with eight equivalent O(2)Li2Ni3Sb octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), one Ni(3), and one Sb(1) atom to form OLi2Ni3Sb octahedra that share corners with six equivalent O(2)Li2Ni3Sb octahedra, edges with four equivalent O(2)Li2Ni3Sb octahedra, edges with four equivalent O(3)Li2Ni4 octahedra, and edges with four equivalent O(1)Li3Ni2Sb octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Li(1), one Ni(1), one Ni(3), and two equivalent Ni(2) atoms to form OLi2Ni4 octahedra that share corners with six equivalent O(3)Li2Ni4 octahedra, edges with four equivalent O(1)Li3Ni2Sb octahedra, and edges with eight equivalent O(2)Li2Ni3Sb octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Li3Ni4SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.962
_cell_length_b   5.962
_cell_length_c   6.056
_cell_angle_alpha   59.882
_cell_angle_beta   59.882
_cell_angle_gamma   61.022
_symmetry_Int_Tables_number   1
_cell_volume   153.059
_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  0.000  0.500  0.000  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Ni  Ni4  1  0.500  0.000  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Sb  Sb7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.739  0.739  0.757  1.0
  O  O9  1  0.264  0.738  0.236  1.0
  O  O10  1  0.738  0.264  0.236  1.0
  O  O11  1  0.261  0.261  0.243  1.0
  O  O12  1  0.250  0.250  0.734  1.0
  O  O13  1  0.736  0.262  0.764  1.0
  O  O14  1  0.262  0.736  0.764  1.0
  O  O15  1  0.750  0.750  0.266  1.0
[/CIF]
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The material structure described by Li3Ni4SbO8 is alpha Po-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) 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(2)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, 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 4-6°. 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 six equivalent Sb(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Ni(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Ni site, Ni(2) 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(1)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, 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 4-6°. In the third Ni site, Ni(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), two equivalent Ni(2), and one Sb(1) atom to form OLi3Ni2Sb octahedra that share corners with six equivalent O(1)Li3Ni2Sb octahedra, edges with four equivalent O(3)Li2Ni4 octahedra, and edges with eight equivalent O(2)Li2Ni3Sb octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), one Ni(3), and one Sb(1) atom to form OLi2Ni3Sb octahedra that share corners with six equivalent O(2)Li2Ni3Sb octahedra, edges with four equivalent O(2)Li2Ni3Sb octahedra, edges with four equivalent O(3)Li2Ni4 octahedra, and edges with four equivalent O(1)Li3Ni2Sb octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Li(1), one Ni(1), one Ni(3), and two equivalent Ni(2) atoms to form OLi2Ni4 octahedra that share corners with six equivalent O(3)Li2Ni4 octahedra, edges with four equivalent O(1)Li3Ni2Sb octahedra, and edges with eight equivalent O(2)Li2Ni3Sb octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Li3Ni4SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.962
_cell_length_b   5.962
_cell_length_c   6.056
_cell_angle_alpha   59.882
_cell_angle_beta   59.882
_cell_angle_gamma   61.022
_symmetry_Int_Tables_number   1
_cell_volume   153.059
_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  0.000  0.500  0.000  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Ni  Ni4  1  0.500  0.000  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Sb  Sb7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.739  0.739  0.757  1.0
  O  O9  1  0.264  0.738  0.236  1.0
  O  O10  1  0.738  0.264  0.236  1.0
  O  O11  1  0.261  0.261  0.243  1.0
  O  O12  1  0.250  0.250  0.734  1.0
  O  O13  1  0.736  0.262  0.764  1.0
  O  O14  1  0.262  0.736  0.764  1.0
  O  O15  1  0.750  0.750  0.266  1.0
[/CIF]
.