The crystal structure described by Ca2MgLa2Ti3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(5), one O(6), and one O(8) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. Mg(1) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and corners with four equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-26°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(5), one O(6), one O(7), and one O(9) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(4), one O(6), one O(7), one O(8), one O(9), and two equivalent O(3) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 23-27°. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-26°. In the third Ti site, Ti(3) is bonded to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-27°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one La(1), one Ti(1), and one Ti(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Mg(1), one La(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent La(2), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(2), one Mg(1), one La(2), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Mg(1), one La(1), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(2), one Ti(1), and one Ti(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(2), one La(1), one La(2), one Ti(1), and one Ti(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Mg(1), one La(2), and one Ti(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ca(2), one Mg(1), one La(1), one La(2), and one Ti(3) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(2), one Ti(1), and one Ti(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(1), one Ti(1), and one Ti(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ca(1), one Mg(1), one La(1), one La(2), and one Ti(3) atom. is represented by the CIF card [CIF]
data_Ca2La2MgTi3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.526
_cell_length_b   5.565
_cell_length_c   7.829
_cell_angle_alpha   89.944
_cell_angle_beta   89.958
_cell_angle_gamma   89.904
_symmetry_Int_Tables_number   1
_cell_volume   240.733
_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
  Ca  Ca0  1  0.494  0.532  0.758  1.0
  Ca  Ca1  1  0.989  0.964  0.242  1.0
  La  La2  1  0.010  0.033  0.762  1.0
  La  La3  1  0.504  0.476  0.239  1.0
  Mg  Mg4  1  0.000  0.501  1.000  1.0
  Ti  Ti5  1  0.501  0.000  0.499  1.0
  Ti  Ti6  1  0.001  0.503  0.501  1.0
  Ti  Ti7  1  0.500  0.999  0.001  1.0
  O  O8  1  0.575  0.982  0.746  1.0
  O  O9  1  0.920  0.483  0.739  1.0
  O  O10  1  0.418  0.013  0.254  1.0
  O  O11  1  0.076  0.518  0.261  1.0
  O  O12  1  0.225  0.790  0.962  1.0
  O  O13  1  0.286  0.281  0.543  1.0
  O  O14  1  0.781  0.214  0.457  1.0
  O  O15  1  0.709  0.722  0.038  1.0
  O  O16  1  0.778  0.206  0.041  1.0
  O  O17  1  0.717  0.721  0.459  1.0
  O  O18  1  0.221  0.783  0.541  1.0
  O  O19  1  0.295  0.278  0.958  1.0
[/CIF]
.
The crystal structure described by Ca2MgLa2Ti3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(5), one O(6), and one O(8) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. Mg(1) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and corners with four equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-26°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(5), one O(6), one O(7), and one O(9) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(4), one O(6), one O(7), one O(8), one O(9), and two equivalent O(3) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 23-27°. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-26°. In the third Ti site, Ti(3) is bonded to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-27°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one La(1), one Ti(1), and one Ti(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Mg(1), one La(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent La(2), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(2), one Mg(1), one La(2), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Mg(1), one La(1), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(2), one Ti(1), and one Ti(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(2), one La(1), one La(2), one Ti(1), and one Ti(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Mg(1), one La(2), and one Ti(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ca(2), one Mg(1), one La(1), one La(2), and one Ti(3) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(2), one Ti(1), and one Ti(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(1), one Ti(1), and one Ti(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ca(1), one Mg(1), one La(1), one La(2), and one Ti(3) atom. is represented by the CIF card [CIF]
data_Ca2La2MgTi3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.526
_cell_length_b   5.565
_cell_length_c   7.829
_cell_angle_alpha   89.944
_cell_angle_beta   89.958
_cell_angle_gamma   89.904
_symmetry_Int_Tables_number   1
_cell_volume   240.733
_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
  Ca  Ca0  1  0.494  0.532  0.758  1.0
  Ca  Ca1  1  0.989  0.964  0.242  1.0
  La  La2  1  0.010  0.033  0.762  1.0
  La  La3  1  0.504  0.476  0.239  1.0
  Mg  Mg4  1  0.000  0.501  1.000  1.0
  Ti  Ti5  1  0.501  0.000  0.499  1.0
  Ti  Ti6  1  0.001  0.503  0.501  1.0
  Ti  Ti7  1  0.500  0.999  0.001  1.0
  O  O8  1  0.575  0.982  0.746  1.0
  O  O9  1  0.920  0.483  0.739  1.0
  O  O10  1  0.418  0.013  0.254  1.0
  O  O11  1  0.076  0.518  0.261  1.0
  O  O12  1  0.225  0.790  0.962  1.0
  O  O13  1  0.286  0.281  0.543  1.0
  O  O14  1  0.781  0.214  0.457  1.0
  O  O15  1  0.709  0.722  0.038  1.0
  O  O16  1  0.778  0.206  0.041  1.0
  O  O17  1  0.717  0.721  0.459  1.0
  O  O18  1  0.221  0.783  0.541  1.0
  O  O19  1  0.295  0.278  0.958  1.0
[/CIF]
.