The crystal structure described by Li3Ni2SbO6 is Caswellsilverite-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(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Li site, Li(2) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Sb(1)O6 octahedra, corners with five equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-17°. Ni(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with five equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. Sb(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(2), two equivalent Ni(1), and one Sb(1) atom to form OLi3Ni2Sb octahedra that share  a cornercorner with one O(1)Li3Ni2Sb octahedra,  a cornercorner with one O(3)Li3NiSb2 octahedra, corners with four equivalent O(2)Li3Ni3 octahedra, edges with four equivalent O(1)Li3Ni2Sb octahedra, edges with four equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(3)Li3NiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and three equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(2)Li3Ni3 octahedra,  a cornercorner with one O(3)Li3NiSb2 octahedra, corners with four equivalent O(1)Li3Ni2Sb octahedra, edges with four equivalent O(1)Li3Ni2Sb octahedra, edges with four equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(3)Li3NiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Ni(1), and two equivalent Sb(1) atoms to form OLi3NiSb2 octahedra that share  a cornercorner with one O(1)Li3Ni2Sb octahedra,  a cornercorner with one O(2)Li3Ni3 octahedra, corners with four equivalent O(3)Li3NiSb2 octahedra, edges with four equivalent O(1)Li3Ni2Sb octahedra, edges with four equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(3)Li3NiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. is represented by the CIF card [CIF]
data_Li3Ni2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.579
_cell_length_b   6.579
_cell_length_c   6.173
_cell_angle_alpha   76.997
_cell_angle_beta   76.997
_cell_angle_gamma   26.904
_symmetry_Int_Tables_number   1
_cell_volume   117.624
_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  0.000  0.000  1.0
  Li  Li1  1  0.677  0.677  0.697  1.0
  Li  Li2  1  0.323  0.323  0.303  1.0
  Ni  Ni3  1  0.672  0.672  0.147  1.0
  Ni  Ni4  1  0.328  0.328  0.853  1.0
  Sb  Sb5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.156  0.156  0.408  1.0
  O  O7  1  0.836  0.836  0.072  1.0
  O  O8  1  0.844  0.844  0.592  1.0
  O  O9  1  0.504  0.504  0.722  1.0
  O  O10  1  0.496  0.496  0.278  1.0
  O  O11  1  0.164  0.164  0.928  1.0
[/CIF]
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The crystal structure described by Li3Ni2SbO6 is Caswellsilverite-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(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Li site, Li(2) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Sb(1)O6 octahedra, corners with five equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-17°. Ni(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with five equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. Sb(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(2), two equivalent Ni(1), and one Sb(1) atom to form OLi3Ni2Sb octahedra that share  a cornercorner with one O(1)Li3Ni2Sb octahedra,  a cornercorner with one O(3)Li3NiSb2 octahedra, corners with four equivalent O(2)Li3Ni3 octahedra, edges with four equivalent O(1)Li3Ni2Sb octahedra, edges with four equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(3)Li3NiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and three equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(2)Li3Ni3 octahedra,  a cornercorner with one O(3)Li3NiSb2 octahedra, corners with four equivalent O(1)Li3Ni2Sb octahedra, edges with four equivalent O(1)Li3Ni2Sb octahedra, edges with four equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(3)Li3NiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Ni(1), and two equivalent Sb(1) atoms to form OLi3NiSb2 octahedra that share  a cornercorner with one O(1)Li3Ni2Sb octahedra,  a cornercorner with one O(2)Li3Ni3 octahedra, corners with four equivalent O(3)Li3NiSb2 octahedra, edges with four equivalent O(1)Li3Ni2Sb octahedra, edges with four equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(3)Li3NiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. is represented by the CIF card [CIF]
data_Li3Ni2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.579
_cell_length_b   6.579
_cell_length_c   6.173
_cell_angle_alpha   76.997
_cell_angle_beta   76.997
_cell_angle_gamma   26.904
_symmetry_Int_Tables_number   1
_cell_volume   117.624
_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  0.000  0.000  1.0
  Li  Li1  1  0.677  0.677  0.697  1.0
  Li  Li2  1  0.323  0.323  0.303  1.0
  Ni  Ni3  1  0.672  0.672  0.147  1.0
  Ni  Ni4  1  0.328  0.328  0.853  1.0
  Sb  Sb5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.156  0.156  0.408  1.0
  O  O7  1  0.836  0.836  0.072  1.0
  O  O8  1  0.844  0.844  0.592  1.0
  O  O9  1  0.504  0.504  0.722  1.0
  O  O10  1  0.496  0.496  0.278  1.0
  O  O11  1  0.164  0.164  0.928  1.0
[/CIF]
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