The structure described by Na2MgLa2Ti3O10 crystallizes in the tetragonal I4/mmm space group. Na(1) is bonded to five equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NaO5 square pyramids. Mg(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(4) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), and four equivalent O(1) atoms. In the second Ti site, Ti(2) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to five equivalent Na(1) and one Ti(1) atom to form a mixture of distorted corner and edge-sharing ONa5Ti octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to four equivalent La(1), one Ti(1), and one Ti(2) atom. is represented by the CIF card [CIF]
data_Na2La2MgTi3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.923
_cell_length_b   3.923
_cell_length_c   16.140
_cell_angle_alpha   96.980
_cell_angle_beta   96.980
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.655
_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
  Na  Na0  1  0.716  0.716  0.431  1.0
  Na  Na1  1  0.284  0.284  0.569  1.0
  La  La2  1  0.596  0.596  0.192  1.0
  La  La3  1  0.404  0.404  0.808  1.0
  Mg  Mg4  1  0.500  0.500  0.000  1.0
  Ti  Ti5  1  0.843  0.843  0.686  1.0
  Ti  Ti6  1  0.157  0.157  0.314  1.0
  Ti  Ti7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.858  0.358  0.716  1.0
  O  O9  1  0.358  0.858  0.716  1.0
  O  O10  1  0.142  0.642  0.284  1.0
  O  O11  1  0.642  0.142  0.284  1.0
  O  O12  1  0.788  0.788  0.576  1.0
  O  O13  1  0.212  0.212  0.424  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.068  0.068  0.137  1.0
  O  O16  1  0.932  0.932  0.863  1.0
  O  O17  1  0.500  0.000  0.000  1.0
[/CIF]
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The structure described by Na2MgLa2Ti3O10 crystallizes in the tetragonal I4/mmm space group. Na(1) is bonded to five equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NaO5 square pyramids. Mg(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(4) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), and four equivalent O(1) atoms. In the second Ti site, Ti(2) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to five equivalent Na(1) and one Ti(1) atom to form a mixture of distorted corner and edge-sharing ONa5Ti octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to four equivalent La(1), one Ti(1), and one Ti(2) atom. is represented by the CIF card [CIF]
data_Na2La2MgTi3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.923
_cell_length_b   3.923
_cell_length_c   16.140
_cell_angle_alpha   96.980
_cell_angle_beta   96.980
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.655
_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
  Na  Na0  1  0.716  0.716  0.431  1.0
  Na  Na1  1  0.284  0.284  0.569  1.0
  La  La2  1  0.596  0.596  0.192  1.0
  La  La3  1  0.404  0.404  0.808  1.0
  Mg  Mg4  1  0.500  0.500  0.000  1.0
  Ti  Ti5  1  0.843  0.843  0.686  1.0
  Ti  Ti6  1  0.157  0.157  0.314  1.0
  Ti  Ti7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.858  0.358  0.716  1.0
  O  O9  1  0.358  0.858  0.716  1.0
  O  O10  1  0.142  0.642  0.284  1.0
  O  O11  1  0.642  0.142  0.284  1.0
  O  O12  1  0.788  0.788  0.576  1.0
  O  O13  1  0.212  0.212  0.424  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.068  0.068  0.137  1.0
  O  O16  1  0.932  0.932  0.863  1.0
  O  O17  1  0.500  0.000  0.000  1.0
[/CIF]
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