The material structure described by LaTi2O6Ga crystallizes in the orthorhombic Cmmm space group. The structure consists of two 7440-55-3 atoms inside a LaTi2O6 framework. In the LaTi2O6 framework, La(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-18°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent La(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent La(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent La(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_LaTi2GaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.948
_cell_length_b   5.555
_cell_length_c   5.555
_cell_angle_alpha   89.664
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.805
_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
  La  La0  1  0.500  0.500  0.500  1.0
  Ti  Ti1  1  0.000  0.000  0.500  1.0
  Ti  Ti2  1  0.000  0.500  0.000  1.0
  Ga  Ga3  1  0.500  0.000  0.000  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.290  0.710  1.0
  O  O7  1  0.000  0.710  0.290  1.0
  O  O8  1  0.000  0.762  0.762  1.0
  O  O9  1  0.000  0.238  0.238  1.0
[/CIF]
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The material structure described by LaTi2O6Ga crystallizes in the orthorhombic Cmmm space group. The structure consists of two 7440-55-3 atoms inside a LaTi2O6 framework. In the LaTi2O6 framework, La(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-18°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent La(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent La(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent La(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_LaTi2GaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.948
_cell_length_b   5.555
_cell_length_c   5.555
_cell_angle_alpha   89.664
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.805
_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
  La  La0  1  0.500  0.500  0.500  1.0
  Ti  Ti1  1  0.000  0.000  0.500  1.0
  Ti  Ti2  1  0.000  0.500  0.000  1.0
  Ga  Ga3  1  0.500  0.000  0.000  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.290  0.710  1.0
  O  O7  1  0.000  0.710  0.290  1.0
  O  O8  1  0.000  0.762  0.762  1.0
  O  O9  1  0.000  0.238  0.238  1.0
[/CIF]
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