The material structure described by K2La2Ti3O10 crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent O(1) atoms. La(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form LaO12 cuboctahedra that share corners with eight equivalent La(1)O12 cuboctahedra, faces with five equivalent La(1)O12 cuboctahedra, and faces with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), and four equivalent O(2) atoms. In the second Ti site, Ti(2) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent Ti(2)O6 octahedra and faces with eight equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to five equivalent K(1) and one Ti(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent K(1), two equivalent La(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent La(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to four equivalent La(1) and two equivalent Ti(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2La2Ti3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.281
_cell_length_b   15.281
_cell_length_c   15.281
_cell_angle_alpha   165.295
_cell_angle_beta   165.295
_cell_angle_gamma   20.854
_symmetry_Int_Tables_number   1
_cell_volume   229.902
_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
  K  K0  1  0.292  0.292  0.000  1.0
  K  K1  1  0.708  0.708  0.000  1.0
  La  La2  1  0.428  0.428  0.000  1.0
  La  La3  1  0.572  0.572  0.000  1.0
  Ti  Ti4  1  0.140  0.140  0.000  1.0
  Ti  Ti5  1  0.860  0.860  0.000  1.0
  Ti  Ti6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.801  0.801  0.000  1.0
  O  O8  1  0.199  0.199  0.000  1.0
  O  O9  1  0.373  0.873  0.500  1.0
  O  O10  1  0.873  0.373  0.500  1.0
  O  O11  1  0.627  0.127  0.500  1.0
  O  O12  1  0.127  0.627  0.500  1.0
  O  O13  1  0.936  0.936  0.000  1.0
  O  O14  1  0.000  0.500  0.500  1.0
  O  O15  1  0.500  0.000  0.500  1.0
  O  O16  1  0.064  0.064  0.000  1.0
[/CIF]
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The material structure described by K2La2Ti3O10 crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent O(1) atoms. La(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form LaO12 cuboctahedra that share corners with eight equivalent La(1)O12 cuboctahedra, faces with five equivalent La(1)O12 cuboctahedra, and faces with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), and four equivalent O(2) atoms. In the second Ti site, Ti(2) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent Ti(2)O6 octahedra and faces with eight equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to five equivalent K(1) and one Ti(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent K(1), two equivalent La(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent La(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to four equivalent La(1) and two equivalent Ti(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2La2Ti3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.281
_cell_length_b   15.281
_cell_length_c   15.281
_cell_angle_alpha   165.295
_cell_angle_beta   165.295
_cell_angle_gamma   20.854
_symmetry_Int_Tables_number   1
_cell_volume   229.902
_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
  K  K0  1  0.292  0.292  0.000  1.0
  K  K1  1  0.708  0.708  0.000  1.0
  La  La2  1  0.428  0.428  0.000  1.0
  La  La3  1  0.572  0.572  0.000  1.0
  Ti  Ti4  1  0.140  0.140  0.000  1.0
  Ti  Ti5  1  0.860  0.860  0.000  1.0
  Ti  Ti6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.801  0.801  0.000  1.0
  O  O8  1  0.199  0.199  0.000  1.0
  O  O9  1  0.373  0.873  0.500  1.0
  O  O10  1  0.873  0.373  0.500  1.0
  O  O11  1  0.627  0.127  0.500  1.0
  O  O12  1  0.127  0.627  0.500  1.0
  O  O13  1  0.936  0.936  0.000  1.0
  O  O14  1  0.000  0.500  0.500  1.0
  O  O15  1  0.500  0.000  0.500  1.0
  O  O16  1  0.064  0.064  0.000  1.0
[/CIF]
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