The crystal structure described by MgLa4Ti4O10 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a water-like geometry to two equivalent La(2), one O(5), and one O(6) atom. 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(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one Mg(1), one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. In the second Ti site, Ti(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(6), and two equivalent O(3) atoms. In the third Ti site, Ti(3) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), one Ti(1), and one Ti(3) atom. In the fifth O site, O(5) is bonded to one Mg(1), two equivalent La(1), one Ti(2), and one Ti(3) atom to form a mixture of edge and face-sharing OLa2MgTi2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Mg(1), two equivalent La(1), one Ti(2), and one Ti(3) atom to form a mixture of edge and face-sharing OLa2MgTi2 trigonal bipyramids. is represented by the CIF file [CIF]
data_La4MgTi4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.587
_cell_length_b   5.764
_cell_length_c   9.200
_cell_angle_alpha   108.245
_cell_angle_beta   107.635
_cell_angle_gamma   90.117
_symmetry_Int_Tables_number   1
_cell_volume   266.610
_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  0.630  0.123  0.279  1.0
  La  La1  1  0.410  0.869  0.832  1.0
  La  La2  1  0.077  0.537  0.168  1.0
  La  La3  1  0.851  0.345  0.721  1.0
  Mg  Mg4  1  0.235  0.835  0.500  1.0
  Ti  Ti5  1  0.991  0.984  0.998  1.0
  Ti  Ti6  1  0.492  0.486  0.002  1.0
  Ti  Ti7  1  0.244  0.338  0.500  1.0
  Ti  Ti8  1  0.733  0.726  0.500  1.0
  O  O9  1  0.221  0.229  0.969  1.0
  O  O10  1  0.260  0.759  0.028  1.0
  O  O11  1  0.732  0.231  0.971  1.0
  O  O12  1  0.751  0.761  0.031  1.0
  O  O13  1  0.120  0.173  0.251  1.0
  O  O14  1  0.860  0.815  0.746  1.0
  O  O15  1  0.614  0.570  0.254  1.0
  O  O16  1  0.367  0.422  0.749  1.0
  O  O17  1  0.971  0.056  0.500  1.0
  O  O18  1  0.506  0.050  0.500  1.0
[/CIF]
.
The crystal structure described by MgLa4Ti4O10 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a water-like geometry to two equivalent La(2), one O(5), and one O(6) atom. 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(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one Mg(1), one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. In the second Ti site, Ti(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(6), and two equivalent O(3) atoms. In the third Ti site, Ti(3) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), one Ti(1), and one Ti(3) atom. In the fifth O site, O(5) is bonded to one Mg(1), two equivalent La(1), one Ti(2), and one Ti(3) atom to form a mixture of edge and face-sharing OLa2MgTi2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Mg(1), two equivalent La(1), one Ti(2), and one Ti(3) atom to form a mixture of edge and face-sharing OLa2MgTi2 trigonal bipyramids. is represented by the CIF file [CIF]
data_La4MgTi4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.587
_cell_length_b   5.764
_cell_length_c   9.200
_cell_angle_alpha   108.245
_cell_angle_beta   107.635
_cell_angle_gamma   90.117
_symmetry_Int_Tables_number   1
_cell_volume   266.610
_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  0.630  0.123  0.279  1.0
  La  La1  1  0.410  0.869  0.832  1.0
  La  La2  1  0.077  0.537  0.168  1.0
  La  La3  1  0.851  0.345  0.721  1.0
  Mg  Mg4  1  0.235  0.835  0.500  1.0
  Ti  Ti5  1  0.991  0.984  0.998  1.0
  Ti  Ti6  1  0.492  0.486  0.002  1.0
  Ti  Ti7  1  0.244  0.338  0.500  1.0
  Ti  Ti8  1  0.733  0.726  0.500  1.0
  O  O9  1  0.221  0.229  0.969  1.0
  O  O10  1  0.260  0.759  0.028  1.0
  O  O11  1  0.732  0.231  0.971  1.0
  O  O12  1  0.751  0.761  0.031  1.0
  O  O13  1  0.120  0.173  0.251  1.0
  O  O14  1  0.860  0.815  0.746  1.0
  O  O15  1  0.614  0.570  0.254  1.0
  O  O16  1  0.367  0.422  0.749  1.0
  O  O17  1  0.971  0.056  0.500  1.0
  O  O18  1  0.506  0.050  0.500  1.0
[/CIF]
.