The crystal structure described by Ca2MgLa2Ti3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(5), and three equivalent O(6) atoms. Mg(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 25°. La(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(4) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1) and four equivalent O(6) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-28°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent La(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and three equivalent La(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Ti(2) atoms. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to three equivalent Ca(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2La2MgTi3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.518
_cell_length_b   5.581
_cell_length_c   15.599
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   480.367
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.990  0.038  0.879  1.0
  Ca  Ca1  1  0.510  0.538  0.879  1.0
  Ca  Ca2  1  0.490  0.462  0.121  1.0
  Ca  Ca3  1  0.010  0.962  0.121  1.0
  La  La4  1  0.985  0.031  0.381  1.0
  La  La5  1  0.515  0.531  0.381  1.0
  La  La6  1  0.485  0.469  0.619  1.0
  La  La7  1  0.015  0.969  0.619  1.0
  Mg  Mg8  1  0.500  0.000  0.500  1.0
  Mg  Mg9  1  0.000  0.500  0.500  1.0
  Ti  Ti10  1  0.000  0.500  0.000  1.0
  Ti  Ti11  1  0.494  0.009  0.245  1.0
  Ti  Ti12  1  0.500  0.000  0.000  1.0
  Ti  Ti13  1  0.506  0.991  0.755  1.0
  Ti  Ti14  1  0.006  0.509  0.245  1.0
  Ti  Ti15  1  0.994  0.491  0.755  1.0
  O  O16  1  0.916  0.519  0.122  1.0
  O  O17  1  0.920  0.516  0.636  1.0
  O  O18  1  0.778  0.773  0.269  1.0
  O  O19  1  0.783  0.783  0.478  1.0
  O  O20  1  0.778  0.783  0.778  1.0
  O  O21  1  0.781  0.781  0.978  1.0
  O  O22  1  0.722  0.273  0.269  1.0
  O  O23  1  0.717  0.283  0.478  1.0
  O  O24  1  0.722  0.283  0.778  1.0
  O  O25  1  0.719  0.281  0.978  1.0
  O  O26  1  0.584  0.019  0.122  1.0
  O  O27  1  0.580  0.016  0.636  1.0
  O  O28  1  0.416  0.981  0.878  1.0
  O  O29  1  0.420  0.984  0.364  1.0
  O  O30  1  0.281  0.719  0.022  1.0
  O  O31  1  0.278  0.717  0.222  1.0
  O  O32  1  0.283  0.717  0.522  1.0
  O  O33  1  0.278  0.727  0.731  1.0
  O  O34  1  0.219  0.219  0.022  1.0
  O  O35  1  0.222  0.217  0.222  1.0
  O  O36  1  0.217  0.217  0.522  1.0
  O  O37  1  0.222  0.227  0.731  1.0
  O  O38  1  0.080  0.484  0.364  1.0
  O  O39  1  0.084  0.481  0.878  1.0
[/CIF]
.
The crystal structure described by Ca2MgLa2Ti3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(5), and three equivalent O(6) atoms. Mg(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 25°. La(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(4) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1) and four equivalent O(6) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-28°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent La(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and three equivalent La(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Ti(2) atoms. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to three equivalent Ca(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2La2MgTi3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.518
_cell_length_b   5.581
_cell_length_c   15.599
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   480.367
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.990  0.038  0.879  1.0
  Ca  Ca1  1  0.510  0.538  0.879  1.0
  Ca  Ca2  1  0.490  0.462  0.121  1.0
  Ca  Ca3  1  0.010  0.962  0.121  1.0
  La  La4  1  0.985  0.031  0.381  1.0
  La  La5  1  0.515  0.531  0.381  1.0
  La  La6  1  0.485  0.469  0.619  1.0
  La  La7  1  0.015  0.969  0.619  1.0
  Mg  Mg8  1  0.500  0.000  0.500  1.0
  Mg  Mg9  1  0.000  0.500  0.500  1.0
  Ti  Ti10  1  0.000  0.500  0.000  1.0
  Ti  Ti11  1  0.494  0.009  0.245  1.0
  Ti  Ti12  1  0.500  0.000  0.000  1.0
  Ti  Ti13  1  0.506  0.991  0.755  1.0
  Ti  Ti14  1  0.006  0.509  0.245  1.0
  Ti  Ti15  1  0.994  0.491  0.755  1.0
  O  O16  1  0.916  0.519  0.122  1.0
  O  O17  1  0.920  0.516  0.636  1.0
  O  O18  1  0.778  0.773  0.269  1.0
  O  O19  1  0.783  0.783  0.478  1.0
  O  O20  1  0.778  0.783  0.778  1.0
  O  O21  1  0.781  0.781  0.978  1.0
  O  O22  1  0.722  0.273  0.269  1.0
  O  O23  1  0.717  0.283  0.478  1.0
  O  O24  1  0.722  0.283  0.778  1.0
  O  O25  1  0.719  0.281  0.978  1.0
  O  O26  1  0.584  0.019  0.122  1.0
  O  O27  1  0.580  0.016  0.636  1.0
  O  O28  1  0.416  0.981  0.878  1.0
  O  O29  1  0.420  0.984  0.364  1.0
  O  O30  1  0.281  0.719  0.022  1.0
  O  O31  1  0.278  0.717  0.222  1.0
  O  O32  1  0.283  0.717  0.522  1.0
  O  O33  1  0.278  0.727  0.731  1.0
  O  O34  1  0.219  0.219  0.022  1.0
  O  O35  1  0.222  0.217  0.222  1.0
  O  O36  1  0.217  0.217  0.522  1.0
  O  O37  1  0.222  0.227  0.731  1.0
  O  O38  1  0.080  0.484  0.364  1.0
  O  O39  1  0.084  0.481  0.878  1.0
[/CIF]
.