The compound described by Li2Ni3TeO8 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, and corners with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) 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)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. In the second Ni site, Ni(2) 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)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. In the third Ni site, Ni(3) 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(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. Te(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, 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 Ni(1), one Ni(2), and one Ni(3) atom to form distorted corner-sharing OLiNi3 tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(3), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(2), one Ni(3), and one Te(1) atom. is represented by the CIF card [CIF]
data_Li2Ni3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.908
_cell_length_b   10.494
_cell_length_c   5.907
_cell_angle_alpha   106.325
_cell_angle_beta   59.853
_cell_angle_gamma   90.068
_symmetry_Int_Tables_number   1
_cell_volume   299.589
_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  0.932  0.202  0.133  1.0
  Li  Li1  1  0.431  0.702  0.135  1.0
  Li  Li2  1  0.569  0.298  0.865  1.0
  Li  Li3  1  0.067  0.798  0.867  1.0
  Ni  Ni4  1  0.500  0.000  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.000  1.0
  Ni  Ni6  1  0.500  1.000  1.000  1.0
  Ni  Ni7  1  0.500  0.500  0.500  1.0
  Ni  Ni8  1  0.000  0.000  0.500  1.0
  Ni  Ni9  1  1.000  0.500  0.500  1.0
  Te  Te10  1  0.752  0.750  0.498  1.0
  Te  Te11  1  0.248  0.250  0.502  1.0
  O  O12  1  0.874  0.406  0.257  1.0
  O  O13  1  0.351  0.906  0.280  1.0
  O  O14  1  0.649  0.094  0.720  1.0
  O  O15  1  0.126  0.594  0.743  1.0
  O  O16  1  0.640  0.630  0.723  1.0
  O  O17  1  0.134  0.128  0.724  1.0
  O  O18  1  0.643  0.630  0.263  1.0
  O  O19  1  0.133  0.130  0.273  1.0
  O  O20  1  0.095  0.628  0.262  1.0
  O  O21  1  0.592  0.130  0.270  1.0
  O  O22  1  0.408  0.870  0.730  1.0
  O  O23  1  0.905  0.372  0.738  1.0
  O  O24  1  0.867  0.870  0.727  1.0
  O  O25  1  0.357  0.370  0.737  1.0
  O  O26  1  0.865  0.872  0.276  1.0
  O  O27  1  0.360  0.370  0.277  1.0
[/CIF]
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The compound described by Li2Ni3TeO8 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, and corners with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) 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)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. In the second Ni site, Ni(2) 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)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. In the third Ni site, Ni(3) 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(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. Te(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, 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 Ni(1), one Ni(2), and one Ni(3) atom to form distorted corner-sharing OLiNi3 tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(3), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(2), one Ni(3), and one Te(1) atom. is represented by the CIF card [CIF]
data_Li2Ni3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.908
_cell_length_b   10.494
_cell_length_c   5.907
_cell_angle_alpha   106.325
_cell_angle_beta   59.853
_cell_angle_gamma   90.068
_symmetry_Int_Tables_number   1
_cell_volume   299.589
_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  0.932  0.202  0.133  1.0
  Li  Li1  1  0.431  0.702  0.135  1.0
  Li  Li2  1  0.569  0.298  0.865  1.0
  Li  Li3  1  0.067  0.798  0.867  1.0
  Ni  Ni4  1  0.500  0.000  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.000  1.0
  Ni  Ni6  1  0.500  1.000  1.000  1.0
  Ni  Ni7  1  0.500  0.500  0.500  1.0
  Ni  Ni8  1  0.000  0.000  0.500  1.0
  Ni  Ni9  1  1.000  0.500  0.500  1.0
  Te  Te10  1  0.752  0.750  0.498  1.0
  Te  Te11  1  0.248  0.250  0.502  1.0
  O  O12  1  0.874  0.406  0.257  1.0
  O  O13  1  0.351  0.906  0.280  1.0
  O  O14  1  0.649  0.094  0.720  1.0
  O  O15  1  0.126  0.594  0.743  1.0
  O  O16  1  0.640  0.630  0.723  1.0
  O  O17  1  0.134  0.128  0.724  1.0
  O  O18  1  0.643  0.630  0.263  1.0
  O  O19  1  0.133  0.130  0.273  1.0
  O  O20  1  0.095  0.628  0.262  1.0
  O  O21  1  0.592  0.130  0.270  1.0
  O  O22  1  0.408  0.870  0.730  1.0
  O  O23  1  0.905  0.372  0.738  1.0
  O  O24  1  0.867  0.870  0.727  1.0
  O  O25  1  0.357  0.370  0.737  1.0
  O  O26  1  0.865  0.872  0.276  1.0
  O  O27  1  0.360  0.370  0.277  1.0
[/CIF]
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