The material described by TiNi4GeO8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Ti(1) is bonded to four equivalent O(1) atoms to form TiO4 tetrahedra that share corners with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. Ni(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NiO6 octahedra that share corners with three equivalent Ti(1)O4 tetrahedra, corners with three equivalent Ge(1)O4 tetrahedra, and edges with six equivalent Ni(1)O6 octahedra. Ge(1) is bonded to four equivalent O(2) atoms to form GeO4 tetrahedra that share corners with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1) and three equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ni(1) and one Ge(1) atom. is represented by the CIF card [CIF]
data_TiNi4GeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.916
_cell_length_b   5.916
_cell_length_c   5.916
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   146.380
_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
  Ti  Ti0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.626  0.626  0.123  1.0
  Ni  Ni2  1  0.626  0.123  0.626  1.0
  Ni  Ni3  1  0.123  0.626  0.626  1.0
  Ni  Ni4  1  0.626  0.626  0.626  1.0
  Ge  Ge5  1  0.250  0.250  0.250  1.0
  O  O6  1  0.873  0.873  0.382  1.0
  O  O7  1  0.873  0.382  0.873  1.0
  O  O8  1  0.382  0.873  0.873  1.0
  O  O9  1  0.873  0.873  0.873  1.0
  O  O10  1  0.375  0.375  0.875  1.0
  O  O11  1  0.375  0.875  0.375  1.0
  O  O12  1  0.875  0.375  0.375  1.0
  O  O13  1  0.375  0.375  0.375  1.0
[/CIF]
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The material described by TiNi4GeO8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Ti(1) is bonded to four equivalent O(1) atoms to form TiO4 tetrahedra that share corners with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. Ni(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NiO6 octahedra that share corners with three equivalent Ti(1)O4 tetrahedra, corners with three equivalent Ge(1)O4 tetrahedra, and edges with six equivalent Ni(1)O6 octahedra. Ge(1) is bonded to four equivalent O(2) atoms to form GeO4 tetrahedra that share corners with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1) and three equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ni(1) and one Ge(1) atom. is represented by the CIF card [CIF]
data_TiNi4GeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.916
_cell_length_b   5.916
_cell_length_c   5.916
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   146.380
_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
  Ti  Ti0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.626  0.626  0.123  1.0
  Ni  Ni2  1  0.626  0.123  0.626  1.0
  Ni  Ni3  1  0.123  0.626  0.626  1.0
  Ni  Ni4  1  0.626  0.626  0.626  1.0
  Ge  Ge5  1  0.250  0.250  0.250  1.0
  O  O6  1  0.873  0.873  0.382  1.0
  O  O7  1  0.873  0.382  0.873  1.0
  O  O8  1  0.382  0.873  0.873  1.0
  O  O9  1  0.873  0.873  0.873  1.0
  O  O10  1  0.375  0.375  0.875  1.0
  O  O11  1  0.375  0.875  0.375  1.0
  O  O12  1  0.875  0.375  0.375  1.0
  O  O13  1  0.375  0.375  0.375  1.0
[/CIF]
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