The crystal structure described by BaLa2Ti3O10 crystallizes in the orthorhombic Cmc2_1 space group. Ba(1) is bonded in a 6-coordinate geometry to three equivalent O(7) and three equivalent O(8) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded to one O(10), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted LaO12 cuboctahedra that share corners with two equivalent La(1)O12 cuboctahedra, corners with six equivalent La(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with three equivalent La(2)O12 cuboctahedra, and faces with four equivalent Ti(1)O6 octahedra. In the second La site, La(2) is bonded to one O(10), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted LaO12 cuboctahedra that share corners with two equivalent La(2)O12 cuboctahedra, corners with six equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with three equivalent La(1)O12 cuboctahedra, and faces with four equivalent Ti(1)O6 octahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(7), and two equivalent O(9) atoms. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(6), one O(8), and two equivalent O(10) atoms. There are ten inequivalent O sites. In the first O site, O(5) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), one Ti(1), and one Ti(2) atom. In the second O site, O(6) 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 third O site, O(7) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Ti(2) atom. In the fourth O site, O(8) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Ti(3) atom. In the fifth O site, O(9) is bonded in a 4-coordinate geometry to one La(1), one La(2), and two equivalent Ti(2) atoms. In the sixth O site, O(10) is bonded in a 4-coordinate geometry to one La(1), one La(2), and two equivalent Ti(3) atoms. In the seventh O site, O(1) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ti(1) atoms. In the eighth O site, O(2) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ti(1) atoms. In the ninth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(2), one Ti(2), and one Ti(3) atom. In the tenth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(1), one Ti(2), and one Ti(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLa2Ti3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.677
_cell_length_b   14.677
_cell_length_c   7.745
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   164.655
_symmetry_Int_Tables_number   1
_cell_volume   441.506
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.266  0.734  0.259  1.0
  Ba  Ba1  1  0.734  0.266  0.759  1.0
  La  La2  1  0.575  0.425  0.258  1.0
  La  La3  1  0.425  0.575  0.758  1.0
  La  La4  1  0.426  0.574  0.257  1.0
  La  La5  1  0.574  0.426  0.757  1.0
  Ti  Ti6  1  0.000  1.000  0.009  1.0
  Ti  Ti7  1  1.000  0.000  0.509  1.0
  Ti  Ti8  1  0.145  0.855  0.009  1.0
  Ti  Ti9  1  0.855  0.145  0.509  1.0
  Ti  Ti10  1  0.855  0.145  0.008  1.0
  Ti  Ti11  1  0.145  0.855  0.508  1.0
  O  O12  1  0.500  0.500  0.017  1.0
  O  O13  1  0.500  0.500  0.517  1.0
  O  O14  1  0.997  0.003  0.261  1.0
  O  O15  1  0.003  0.997  0.761  1.0
  O  O16  1  0.872  0.128  0.258  1.0
  O  O17  1  0.128  0.872  0.758  1.0
  O  O18  1  0.133  0.867  0.258  1.0
  O  O19  1  0.867  0.133  0.758  1.0
  O  O20  1  0.067  0.933  0.018  1.0
  O  O21  1  0.933  0.067  0.518  1.0
  O  O22  1  0.934  0.066  0.996  1.0
  O  O23  1  0.066  0.934  0.496  1.0
  O  O24  1  0.206  0.794  0.988  1.0
  O  O25  1  0.794  0.206  0.488  1.0
  O  O26  1  0.794  0.206  0.031  1.0
  O  O27  1  0.206  0.794  0.531  1.0
  O  O28  1  0.630  0.370  0.005  1.0
  O  O29  1  0.370  0.630  0.505  1.0
  O  O30  1  0.370  0.630  0.011  1.0
  O  O31  1  0.630  0.370  0.511  1.0
[/CIF]
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The crystal structure described by BaLa2Ti3O10 crystallizes in the orthorhombic Cmc2_1 space group. Ba(1) is bonded in a 6-coordinate geometry to three equivalent O(7) and three equivalent O(8) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded to one O(10), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted LaO12 cuboctahedra that share corners with two equivalent La(1)O12 cuboctahedra, corners with six equivalent La(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with three equivalent La(2)O12 cuboctahedra, and faces with four equivalent Ti(1)O6 octahedra. In the second La site, La(2) is bonded to one O(10), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted LaO12 cuboctahedra that share corners with two equivalent La(2)O12 cuboctahedra, corners with six equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with three equivalent La(1)O12 cuboctahedra, and faces with four equivalent Ti(1)O6 octahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(7), and two equivalent O(9) atoms. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(6), one O(8), and two equivalent O(10) atoms. There are ten inequivalent O sites. In the first O site, O(5) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), one Ti(1), and one Ti(2) atom. In the second O site, O(6) 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 third O site, O(7) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Ti(2) atom. In the fourth O site, O(8) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Ti(3) atom. In the fifth O site, O(9) is bonded in a 4-coordinate geometry to one La(1), one La(2), and two equivalent Ti(2) atoms. In the sixth O site, O(10) is bonded in a 4-coordinate geometry to one La(1), one La(2), and two equivalent Ti(3) atoms. In the seventh O site, O(1) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ti(1) atoms. In the eighth O site, O(2) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ti(1) atoms. In the ninth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(2), one Ti(2), and one Ti(3) atom. In the tenth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(1), one Ti(2), and one Ti(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLa2Ti3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.677
_cell_length_b   14.677
_cell_length_c   7.745
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   164.655
_symmetry_Int_Tables_number   1
_cell_volume   441.506
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.266  0.734  0.259  1.0
  Ba  Ba1  1  0.734  0.266  0.759  1.0
  La  La2  1  0.575  0.425  0.258  1.0
  La  La3  1  0.425  0.575  0.758  1.0
  La  La4  1  0.426  0.574  0.257  1.0
  La  La5  1  0.574  0.426  0.757  1.0
  Ti  Ti6  1  0.000  1.000  0.009  1.0
  Ti  Ti7  1  1.000  0.000  0.509  1.0
  Ti  Ti8  1  0.145  0.855  0.009  1.0
  Ti  Ti9  1  0.855  0.145  0.509  1.0
  Ti  Ti10  1  0.855  0.145  0.008  1.0
  Ti  Ti11  1  0.145  0.855  0.508  1.0
  O  O12  1  0.500  0.500  0.017  1.0
  O  O13  1  0.500  0.500  0.517  1.0
  O  O14  1  0.997  0.003  0.261  1.0
  O  O15  1  0.003  0.997  0.761  1.0
  O  O16  1  0.872  0.128  0.258  1.0
  O  O17  1  0.128  0.872  0.758  1.0
  O  O18  1  0.133  0.867  0.258  1.0
  O  O19  1  0.867  0.133  0.758  1.0
  O  O20  1  0.067  0.933  0.018  1.0
  O  O21  1  0.933  0.067  0.518  1.0
  O  O22  1  0.934  0.066  0.996  1.0
  O  O23  1  0.066  0.934  0.496  1.0
  O  O24  1  0.206  0.794  0.988  1.0
  O  O25  1  0.794  0.206  0.488  1.0
  O  O26  1  0.794  0.206  0.031  1.0
  O  O27  1  0.206  0.794  0.531  1.0
  O  O28  1  0.630  0.370  0.005  1.0
  O  O29  1  0.370  0.630  0.505  1.0
  O  O30  1  0.370  0.630  0.011  1.0
  O  O31  1  0.630  0.370  0.511  1.0
[/CIF]
.