The crystal structure described by MgLa4Ti3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share faces with two equivalent Ti(2)O6 octahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent O(2) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 24°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one La(2), two equivalent La(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(2), one Ti(1), and one Ti(2) atom. is represented by the CIF file [CIF]
data_La4MgTi3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.775
_cell_length_b   9.775
_cell_length_c   9.775
_cell_angle_alpha   33.632
_cell_angle_beta   33.632
_cell_angle_gamma   33.632
_symmetry_Int_Tables_number   1
_cell_volume   255.271
_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  0.866  0.866  0.866  1.0
  La  La1  1  0.134  0.134  0.134  1.0
  La  La2  1  0.721  0.721  0.721  1.0
  La  La3  1  0.279  0.279  0.279  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.000  0.000  0.000  1.0
  Ti  Ti6  1  0.593  0.593  0.593  1.0
  Ti  Ti7  1  0.407  0.407  0.407  1.0
  O  O8  1  0.872  0.301  0.459  1.0
  O  O9  1  0.301  0.459  0.872  1.0
  O  O10  1  0.459  0.872  0.301  1.0
  O  O11  1  0.128  0.699  0.541  1.0
  O  O12  1  0.699  0.541  0.128  1.0
  O  O13  1  0.541  0.128  0.699  1.0
  O  O14  1  0.707  0.137  0.278  1.0
  O  O15  1  0.722  0.293  0.863  1.0
  O  O16  1  0.863  0.722  0.293  1.0
  O  O17  1  0.293  0.863  0.722  1.0
  O  O18  1  0.278  0.707  0.137  1.0
  O  O19  1  0.137  0.278  0.707  1.0
[/CIF]
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The crystal structure described by MgLa4Ti3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share faces with two equivalent Ti(2)O6 octahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent O(2) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 24°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one La(2), two equivalent La(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(2), one Ti(1), and one Ti(2) atom. is represented by the CIF file [CIF]
data_La4MgTi3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.775
_cell_length_b   9.775
_cell_length_c   9.775
_cell_angle_alpha   33.632
_cell_angle_beta   33.632
_cell_angle_gamma   33.632
_symmetry_Int_Tables_number   1
_cell_volume   255.271
_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  0.866  0.866  0.866  1.0
  La  La1  1  0.134  0.134  0.134  1.0
  La  La2  1  0.721  0.721  0.721  1.0
  La  La3  1  0.279  0.279  0.279  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.000  0.000  0.000  1.0
  Ti  Ti6  1  0.593  0.593  0.593  1.0
  Ti  Ti7  1  0.407  0.407  0.407  1.0
  O  O8  1  0.872  0.301  0.459  1.0
  O  O9  1  0.301  0.459  0.872  1.0
  O  O10  1  0.459  0.872  0.301  1.0
  O  O11  1  0.128  0.699  0.541  1.0
  O  O12  1  0.699  0.541  0.128  1.0
  O  O13  1  0.541  0.128  0.699  1.0
  O  O14  1  0.707  0.137  0.278  1.0
  O  O15  1  0.722  0.293  0.863  1.0
  O  O16  1  0.863  0.722  0.293  1.0
  O  O17  1  0.293  0.863  0.722  1.0
  O  O18  1  0.278  0.707  0.137  1.0
  O  O19  1  0.137  0.278  0.707  1.0
[/CIF]
.