The material described by CsLa2Ti2TaO10 crystallizes in the monoclinic Cm space group. Cs(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(5), and four equivalent O(7) atoms. In the second La site, La(2) is bonded to four equivalent O(2), four equivalent O(6), and four equivalent O(7) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(2)O12 cuboctahedra, faces with four equivalent La(2)O12 cuboctahedra, and faces with four equivalent Ti(1)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), and four equivalent O(7) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(3) and four equivalent O(5) atoms. Ta(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), and four equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent La(1) and one Ti(1) atom. In the second O site, O(2) is bonded to four equivalent La(2), one Ti(1), and one Ta(1) atom to form a mixture of distorted corner and edge-sharing OLa4TaTi octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded in a single-bond geometry to four equivalent Cs(1) and one Ti(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to four equivalent Cs(1) and one Ta(1) atom. In the fifth O site, O(5) is bonded to two equivalent La(1) and two equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing OLa2Ti2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to two equivalent La(2) and two equivalent Ta(1) atoms. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_CsLa2TaTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.895
_cell_length_b   3.895
_cell_length_c   15.711
_cell_angle_alpha   89.571
_cell_angle_beta   90.429
_cell_angle_gamma   90.066
_symmetry_Int_Tables_number   1
_cell_volume   238.311
_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
  Cs  Cs0  1  0.500  0.500  0.508  1.0
  La  La1  1  0.507  0.493  0.846  1.0
  La  La2  1  0.500  0.500  0.128  1.0
  Ta  Ta3  1  1.000  0.000  0.278  1.0
  Ti  Ti4  1  0.984  0.016  0.998  1.0
  Ti  Ti5  1  0.000  1.000  0.716  1.0
  O  O6  1  0.987  0.013  0.880  1.0
  O  O7  1  0.985  0.015  0.129  1.0
  O  O8  1  0.999  0.001  0.608  1.0
  O  O9  1  0.002  0.998  0.392  1.0
  O  O10  1  0.499  0.999  0.751  1.0
  O  O11  1  0.001  0.501  0.751  1.0
  O  O12  1  0.497  0.004  0.248  1.0
  O  O13  1  0.996  0.503  0.248  1.0
  O  O14  1  0.476  0.042  0.009  1.0
  O  O15  1  0.958  0.524  0.009  1.0
[/CIF]
.
The material described by CsLa2Ti2TaO10 crystallizes in the monoclinic Cm space group. Cs(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(5), and four equivalent O(7) atoms. In the second La site, La(2) is bonded to four equivalent O(2), four equivalent O(6), and four equivalent O(7) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(2)O12 cuboctahedra, faces with four equivalent La(2)O12 cuboctahedra, and faces with four equivalent Ti(1)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), and four equivalent O(7) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(3) and four equivalent O(5) atoms. Ta(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), and four equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent La(1) and one Ti(1) atom. In the second O site, O(2) is bonded to four equivalent La(2), one Ti(1), and one Ta(1) atom to form a mixture of distorted corner and edge-sharing OLa4TaTi octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded in a single-bond geometry to four equivalent Cs(1) and one Ti(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to four equivalent Cs(1) and one Ta(1) atom. In the fifth O site, O(5) is bonded to two equivalent La(1) and two equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing OLa2Ti2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to two equivalent La(2) and two equivalent Ta(1) atoms. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_CsLa2TaTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.895
_cell_length_b   3.895
_cell_length_c   15.711
_cell_angle_alpha   89.571
_cell_angle_beta   90.429
_cell_angle_gamma   90.066
_symmetry_Int_Tables_number   1
_cell_volume   238.311
_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
  Cs  Cs0  1  0.500  0.500  0.508  1.0
  La  La1  1  0.507  0.493  0.846  1.0
  La  La2  1  0.500  0.500  0.128  1.0
  Ta  Ta3  1  1.000  0.000  0.278  1.0
  Ti  Ti4  1  0.984  0.016  0.998  1.0
  Ti  Ti5  1  0.000  1.000  0.716  1.0
  O  O6  1  0.987  0.013  0.880  1.0
  O  O7  1  0.985  0.015  0.129  1.0
  O  O8  1  0.999  0.001  0.608  1.0
  O  O9  1  0.002  0.998  0.392  1.0
  O  O10  1  0.499  0.999  0.751  1.0
  O  O11  1  0.001  0.501  0.751  1.0
  O  O12  1  0.497  0.004  0.248  1.0
  O  O13  1  0.996  0.503  0.248  1.0
  O  O14  1  0.476  0.042  0.009  1.0
  O  O15  1  0.958  0.524  0.009  1.0
[/CIF]
.