The compound described by Ga4TiO8 crystallizes in the monoclinic C2/m space group. Ti(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with four equivalent Ga(2)O6 octahedra, corners with four equivalent Ga(1)O4 tetrahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form GaO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with five equivalent Ga(2)O6 octahedra, and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-68°. In the second Ga site, Ga(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(4) atoms to form GaO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with five equivalent Ga(1)O4 tetrahedra, and edges with four equivalent Ga(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ga(2) and two equivalent Ga(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Ga(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ti(1) and two equivalent Ga(2) atoms. In the fourth O site, O(4) is bonded to one Ga(1) and three equivalent Ga(2) atoms to form a mixture of distorted corner and edge-sharing OGa4 tetrahedra. is represented by the CIF card [CIF]
data_Ti(GaO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.030
_cell_length_b   6.318
_cell_length_c   8.040
_cell_angle_alpha   81.960
_cell_angle_beta   79.150
_cell_angle_gamma   76.122
_symmetry_Int_Tables_number   1
_cell_volume   146.036
_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
  Ga  Ga1  1  0.534  0.641  0.288  1.0
  Ga  Ga2  1  0.760  0.844  0.637  1.0
  Ga  Ga3  1  0.240  0.156  0.363  1.0
  Ga  Ga4  1  0.466  0.359  0.712  1.0
  O  O5  1  0.893  0.526  0.688  1.0
  O  O6  1  0.557  0.807  0.080  1.0
  O  O7  1  0.443  0.193  0.920  1.0
  O  O8  1  0.834  0.112  0.220  1.0
  O  O9  1  0.107  0.474  0.312  1.0
  O  O10  1  0.646  0.168  0.540  1.0
  O  O11  1  0.354  0.832  0.460  1.0
  O  O12  1  0.166  0.888  0.780  1.0
[/CIF]
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The compound described by Ga4TiO8 crystallizes in the monoclinic C2/m space group. Ti(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with four equivalent Ga(2)O6 octahedra, corners with four equivalent Ga(1)O4 tetrahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form GaO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with five equivalent Ga(2)O6 octahedra, and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-68°. In the second Ga site, Ga(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(4) atoms to form GaO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with five equivalent Ga(1)O4 tetrahedra, and edges with four equivalent Ga(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ga(2) and two equivalent Ga(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Ga(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ti(1) and two equivalent Ga(2) atoms. In the fourth O site, O(4) is bonded to one Ga(1) and three equivalent Ga(2) atoms to form a mixture of distorted corner and edge-sharing OGa4 tetrahedra. is represented by the CIF card [CIF]
data_Ti(GaO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.030
_cell_length_b   6.318
_cell_length_c   8.040
_cell_angle_alpha   81.960
_cell_angle_beta   79.150
_cell_angle_gamma   76.122
_symmetry_Int_Tables_number   1
_cell_volume   146.036
_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
  Ga  Ga1  1  0.534  0.641  0.288  1.0
  Ga  Ga2  1  0.760  0.844  0.637  1.0
  Ga  Ga3  1  0.240  0.156  0.363  1.0
  Ga  Ga4  1  0.466  0.359  0.712  1.0
  O  O5  1  0.893  0.526  0.688  1.0
  O  O6  1  0.557  0.807  0.080  1.0
  O  O7  1  0.443  0.193  0.920  1.0
  O  O8  1  0.834  0.112  0.220  1.0
  O  O9  1  0.107  0.474  0.312  1.0
  O  O10  1  0.646  0.168  0.540  1.0
  O  O11  1  0.354  0.832  0.460  1.0
  O  O12  1  0.166  0.888  0.780  1.0
[/CIF]
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