The structure described by Ba2Ti3Zn2Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(9) and four equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one O(4) and four equivalent O(2) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted corner-sharing TiO5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded to one O(7), two equivalent O(6), and two equivalent O(8) atoms to form distorted corner-sharing TiO5 trigonal bipyramids. In the third Ti site, Ti(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(10) and two equivalent O(5) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), and two equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(10), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one O(9) and two equivalent O(4) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Ti(1) and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Ba(2) and one Ti(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Ti(1) and two equivalent Zn(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(2), one Tl(1), and two equivalent Tl(2) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent Ti(3) and one Zn(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to two equivalent Ti(2) and two equivalent Zn(2) atoms. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one Ti(2) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to two equivalent Ti(2) and two equivalent Zn(2) atoms. In the ninth O site, O(9) is bonded to one Ba(1), one Tl(2), and two equivalent Tl(1) atoms to form distorted corner-sharing OBaTl3 trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to two equivalent Ti(3) and one Zn(2) atom. is represented by the CIF card [CIF]
data_Ba2Ti3Tl2Zn2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.867
_cell_length_b   3.880
_cell_length_c   19.963
_cell_angle_alpha   92.721
_cell_angle_beta   93.288
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   298.692
_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
  Ba  Ba0  1  0.113  0.170  0.321  1.0
  Ba  Ba1  1  0.779  0.816  0.677  1.0
  Ti  Ti2  1  0.337  0.338  0.820  1.0
  Ti  Ti3  1  0.574  0.613  0.178  1.0
  Ti  Ti4  1  0.358  0.587  0.002  1.0
  Tl  Tl5  1  0.707  0.724  0.440  1.0
  Tl  Tl6  1  0.252  0.265  0.558  1.0
  Zn  Zn7  1  0.863  0.857  0.895  1.0
  Zn  Zn8  1  0.043  0.092  0.103  1.0
  O  O9  1  0.352  0.842  0.845  1.0
  O  O10  1  0.308  0.331  0.731  1.0
  O  O11  1  0.846  0.322  0.843  1.0
  O  O12  1  0.807  0.749  0.554  1.0
  O  O13  1  0.828  0.621  0.981  1.0
  O  O14  1  0.072  0.603  0.152  1.0
  O  O15  1  0.579  0.636  0.268  1.0
  O  O16  1  0.596  0.108  0.159  1.0
  O  O17  1  0.275  0.236  0.443  1.0
  O  O18  1  0.313  0.107  0.021  1.0
[/CIF]
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The structure described by Ba2Ti3Zn2Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(9) and four equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one O(4) and four equivalent O(2) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted corner-sharing TiO5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded to one O(7), two equivalent O(6), and two equivalent O(8) atoms to form distorted corner-sharing TiO5 trigonal bipyramids. In the third Ti site, Ti(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(10) and two equivalent O(5) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), and two equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(10), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one O(9) and two equivalent O(4) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Ti(1) and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Ba(2) and one Ti(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Ti(1) and two equivalent Zn(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(2), one Tl(1), and two equivalent Tl(2) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent Ti(3) and one Zn(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to two equivalent Ti(2) and two equivalent Zn(2) atoms. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one Ti(2) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to two equivalent Ti(2) and two equivalent Zn(2) atoms. In the ninth O site, O(9) is bonded to one Ba(1), one Tl(2), and two equivalent Tl(1) atoms to form distorted corner-sharing OBaTl3 trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to two equivalent Ti(3) and one Zn(2) atom. is represented by the CIF card [CIF]
data_Ba2Ti3Tl2Zn2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.867
_cell_length_b   3.880
_cell_length_c   19.963
_cell_angle_alpha   92.721
_cell_angle_beta   93.288
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   298.692
_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
  Ba  Ba0  1  0.113  0.170  0.321  1.0
  Ba  Ba1  1  0.779  0.816  0.677  1.0
  Ti  Ti2  1  0.337  0.338  0.820  1.0
  Ti  Ti3  1  0.574  0.613  0.178  1.0
  Ti  Ti4  1  0.358  0.587  0.002  1.0
  Tl  Tl5  1  0.707  0.724  0.440  1.0
  Tl  Tl6  1  0.252  0.265  0.558  1.0
  Zn  Zn7  1  0.863  0.857  0.895  1.0
  Zn  Zn8  1  0.043  0.092  0.103  1.0
  O  O9  1  0.352  0.842  0.845  1.0
  O  O10  1  0.308  0.331  0.731  1.0
  O  O11  1  0.846  0.322  0.843  1.0
  O  O12  1  0.807  0.749  0.554  1.0
  O  O13  1  0.828  0.621  0.981  1.0
  O  O14  1  0.072  0.603  0.152  1.0
  O  O15  1  0.579  0.636  0.268  1.0
  O  O16  1  0.596  0.108  0.159  1.0
  O  O17  1  0.275  0.236  0.443  1.0
  O  O18  1  0.313  0.107  0.021  1.0
[/CIF]
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