The structure described by MgTi(GaO2)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. 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 trigonal pyramids, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. 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 trigonal pyramids 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 trigonal pyramids. The corner-sharing octahedral tilt angles range from 53-72°. 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 trigonal pyramids, and edges with four equivalent Ga(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ga(2), and two equivalent Ga(1) atoms to form corner-sharing OMgGa3 tetrahedra. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), 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 in a distorted rectangular see-saw-like geometry to one Ga(1) and three equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_MgTi(GaO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.100
_cell_length_b   6.470
_cell_length_c   8.394
_cell_angle_alpha   80.824
_cell_angle_beta   77.383
_cell_angle_gamma   75.056
_symmetry_Int_Tables_number   1
_cell_volume   157.781
_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
  Mg  Mg0  1  0.500  0.500  0.000  1.0
  Ti  Ti1  1  0.000  0.000  0.000  1.0
  Ga  Ga2  1  0.556  0.645  0.299  1.0
  Ga  Ga3  1  0.759  0.852  0.642  1.0
  Ga  Ga4  1  0.241  0.148  0.358  1.0
  Ga  Ga5  1  0.444  0.355  0.701  1.0
  O  O6  1  0.838  0.531  0.727  1.0
  O  O7  1  0.604  0.761  0.072  1.0
  O  O8  1  0.396  0.239  0.928  1.0
  O  O9  1  0.842  0.098  0.222  1.0
  O  O10  1  0.162  0.469  0.273  1.0
  O  O11  1  0.644  0.174  0.533  1.0
  O  O12  1  0.356  0.826  0.467  1.0
  O  O13  1  0.158  0.902  0.778  1.0
[/CIF]
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The structure described by MgTi(GaO2)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. 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 trigonal pyramids, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. 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 trigonal pyramids 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 trigonal pyramids. The corner-sharing octahedral tilt angles range from 53-72°. 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 trigonal pyramids, and edges with four equivalent Ga(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ga(2), and two equivalent Ga(1) atoms to form corner-sharing OMgGa3 tetrahedra. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), 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 in a distorted rectangular see-saw-like geometry to one Ga(1) and three equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_MgTi(GaO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.100
_cell_length_b   6.470
_cell_length_c   8.394
_cell_angle_alpha   80.824
_cell_angle_beta   77.383
_cell_angle_gamma   75.056
_symmetry_Int_Tables_number   1
_cell_volume   157.781
_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
  Mg  Mg0  1  0.500  0.500  0.000  1.0
  Ti  Ti1  1  0.000  0.000  0.000  1.0
  Ga  Ga2  1  0.556  0.645  0.299  1.0
  Ga  Ga3  1  0.759  0.852  0.642  1.0
  Ga  Ga4  1  0.241  0.148  0.358  1.0
  Ga  Ga5  1  0.444  0.355  0.701  1.0
  O  O6  1  0.838  0.531  0.727  1.0
  O  O7  1  0.604  0.761  0.072  1.0
  O  O8  1  0.396  0.239  0.928  1.0
  O  O9  1  0.842  0.098  0.222  1.0
  O  O10  1  0.162  0.469  0.273  1.0
  O  O11  1  0.644  0.174  0.533  1.0
  O  O12  1  0.356  0.826  0.467  1.0
  O  O13  1  0.158  0.902  0.778  1.0
[/CIF]
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