The material structure described by K2MgLa2Ti3O10 crystallizes in the tetragonal I-4m2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent O(2), two equivalent O(3), and five equivalent O(1) atoms. In the second K site, K(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent O(2), two equivalent O(3), and five equivalent O(1) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent K(1) and four equivalent O(1) atoms. La(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(4), and four equivalent O(5) atoms to form LaO12 cuboctahedra that share corners with eight equivalent La(1)O12 cuboctahedra, faces with five equivalent La(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Ti site, Ti(2) is bonded to two equivalent O(4) and four equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, 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 five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to five equivalent K(1), two equivalent Mg(1), and one Ti(1) atom. In the second O site, O(2) is bonded to two equivalent K(1), two equivalent La(1), and two equivalent Ti(1) atoms to form a mixture of distorted face, corner, and edge-sharing OK2La2Ti2 octahedra. The corner-sharing octahedral tilt angles are 7°. In the third O site, O(3) is bonded to two equivalent K(1), two equivalent La(1), and two equivalent Ti(1) atoms to form a mixture of distorted face, corner, and edge-sharing OK2La2Ti2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent La(1), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_K2La2MgTi3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.964
_cell_length_b   3.964
_cell_length_c   14.807
_cell_angle_alpha   97.692
_cell_angle_beta   97.692
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.434
_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  0.311  0.311  0.621  1.0
  K  K1  1  0.689  0.689  0.379  1.0
  La  La2  1  0.430  0.430  0.861  1.0
  La  La3  1  0.570  0.570  0.139  1.0
  Mg  Mg4  1  0.750  0.250  0.500  1.0
  Ti  Ti5  1  0.136  0.136  0.271  1.0
  Ti  Ti6  1  0.864  0.864  0.729  1.0
  Ti  Ti7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.787  0.787  0.574  1.0
  O  O9  1  0.213  0.213  0.426  1.0
  O  O10  1  0.868  0.368  0.736  1.0
  O  O11  1  0.371  0.871  0.742  1.0
  O  O12  1  0.129  0.629  0.258  1.0
  O  O13  1  0.632  0.132  0.264  1.0
  O  O14  1  0.932  0.932  0.865  1.0
  O  O15  1  0.500  1.000  1.000  1.0
  O  O16  1  0.000  0.500  0.000  1.0
  O  O17  1  0.068  0.068  0.135  1.0
[/CIF]
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The material structure described by K2MgLa2Ti3O10 crystallizes in the tetragonal I-4m2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent O(2), two equivalent O(3), and five equivalent O(1) atoms. In the second K site, K(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent O(2), two equivalent O(3), and five equivalent O(1) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent K(1) and four equivalent O(1) atoms. La(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(4), and four equivalent O(5) atoms to form LaO12 cuboctahedra that share corners with eight equivalent La(1)O12 cuboctahedra, faces with five equivalent La(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Ti site, Ti(2) is bonded to two equivalent O(4) and four equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, 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 five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to five equivalent K(1), two equivalent Mg(1), and one Ti(1) atom. In the second O site, O(2) is bonded to two equivalent K(1), two equivalent La(1), and two equivalent Ti(1) atoms to form a mixture of distorted face, corner, and edge-sharing OK2La2Ti2 octahedra. The corner-sharing octahedral tilt angles are 7°. In the third O site, O(3) is bonded to two equivalent K(1), two equivalent La(1), and two equivalent Ti(1) atoms to form a mixture of distorted face, corner, and edge-sharing OK2La2Ti2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent La(1), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_K2La2MgTi3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.964
_cell_length_b   3.964
_cell_length_c   14.807
_cell_angle_alpha   97.692
_cell_angle_beta   97.692
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.434
_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  0.311  0.311  0.621  1.0
  K  K1  1  0.689  0.689  0.379  1.0
  La  La2  1  0.430  0.430  0.861  1.0
  La  La3  1  0.570  0.570  0.139  1.0
  Mg  Mg4  1  0.750  0.250  0.500  1.0
  Ti  Ti5  1  0.136  0.136  0.271  1.0
  Ti  Ti6  1  0.864  0.864  0.729  1.0
  Ti  Ti7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.787  0.787  0.574  1.0
  O  O9  1  0.213  0.213  0.426  1.0
  O  O10  1  0.868  0.368  0.736  1.0
  O  O11  1  0.371  0.871  0.742  1.0
  O  O12  1  0.129  0.629  0.258  1.0
  O  O13  1  0.632  0.132  0.264  1.0
  O  O14  1  0.932  0.932  0.865  1.0
  O  O15  1  0.500  1.000  1.000  1.0
  O  O16  1  0.000  0.500  0.000  1.0
  O  O17  1  0.068  0.068  0.135  1.0
[/CIF]
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