The crystal structure described by Ba2Ca2Ti3Tl2O10 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 two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(10), two equivalent O(3), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a body-centered cubic geometry to two equivalent O(10), two equivalent O(5), two equivalent O(6), and two equivalent O(8) 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 rectangular see-saw-like geometry to two equivalent O(10) and two equivalent O(5) 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 Ca(1) and two equivalent Ti(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 Ca(1) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to one Ba(2), one Tl(1), and two equivalent Tl(2) atoms to form distorted corner-sharing OBaTl3 trigonal pyramids. In the fifth O site, O(5) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Ti(3) atoms to form a mixture of distorted face, corner, and edge-sharing OCa4Ti2 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to two equivalent Ca(2) and two equivalent Ti(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 Ca(2) and two equivalent Ti(2) atoms. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Tl(2), and two equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Ti(3) atoms to form a mixture of distorted face, corner, and edge-sharing OCa4Ti2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ba2Ca2Ti3Tl2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.928
_cell_length_b   3.931
_cell_length_c   19.861
_cell_angle_alpha   94.631
_cell_angle_beta   95.285
_cell_angle_gamma   90.030
_symmetry_Int_Tables_number   1
_cell_volume   304.419
_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  0.222  0.128  0.319  1.0
  Ba  Ba1  1  0.923  0.864  0.680  1.0
  Ca  Ca2  1  0.027  0.963  0.907  1.0
  Ca  Ca3  1  0.111  0.030  0.092  1.0
  Ti  Ti4  1  0.488  0.427  0.816  1.0
  Ti  Ti5  1  0.656  0.567  0.183  1.0
  Ti  Ti6  1  0.568  0.496  1.000  1.0
  Tl  Tl7  1  0.740  0.722  0.442  1.0
  Tl  Tl8  1  0.297  0.283  0.557  1.0
  O  O9  1  0.495  0.937  0.838  1.0
  O  O10  1  0.450  0.392  0.725  1.0
  O  O11  1  0.995  0.437  0.838  1.0
  O  O12  1  0.716  0.761  0.560  1.0
  O  O13  1  0.068  0.496  0.999  1.0
  O  O14  1  0.143  0.557  0.161  1.0
  O  O15  1  0.702  0.601  0.274  1.0
  O  O16  1  0.644  0.058  0.162  1.0
  O  O17  1  0.175  0.257  0.440  1.0
  O  O18  1  0.568  0.996  1.000  1.0
[/CIF]
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The crystal structure described by Ba2Ca2Ti3Tl2O10 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 two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(10), two equivalent O(3), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a body-centered cubic geometry to two equivalent O(10), two equivalent O(5), two equivalent O(6), and two equivalent O(8) 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 rectangular see-saw-like geometry to two equivalent O(10) and two equivalent O(5) 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 Ca(1) and two equivalent Ti(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 Ca(1) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to one Ba(2), one Tl(1), and two equivalent Tl(2) atoms to form distorted corner-sharing OBaTl3 trigonal pyramids. In the fifth O site, O(5) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Ti(3) atoms to form a mixture of distorted face, corner, and edge-sharing OCa4Ti2 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to two equivalent Ca(2) and two equivalent Ti(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 Ca(2) and two equivalent Ti(2) atoms. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Tl(2), and two equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Ti(3) atoms to form a mixture of distorted face, corner, and edge-sharing OCa4Ti2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ba2Ca2Ti3Tl2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.928
_cell_length_b   3.931
_cell_length_c   19.861
_cell_angle_alpha   94.631
_cell_angle_beta   95.285
_cell_angle_gamma   90.030
_symmetry_Int_Tables_number   1
_cell_volume   304.419
_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  0.222  0.128  0.319  1.0
  Ba  Ba1  1  0.923  0.864  0.680  1.0
  Ca  Ca2  1  0.027  0.963  0.907  1.0
  Ca  Ca3  1  0.111  0.030  0.092  1.0
  Ti  Ti4  1  0.488  0.427  0.816  1.0
  Ti  Ti5  1  0.656  0.567  0.183  1.0
  Ti  Ti6  1  0.568  0.496  1.000  1.0
  Tl  Tl7  1  0.740  0.722  0.442  1.0
  Tl  Tl8  1  0.297  0.283  0.557  1.0
  O  O9  1  0.495  0.937  0.838  1.0
  O  O10  1  0.450  0.392  0.725  1.0
  O  O11  1  0.995  0.437  0.838  1.0
  O  O12  1  0.716  0.761  0.560  1.0
  O  O13  1  0.068  0.496  0.999  1.0
  O  O14  1  0.143  0.557  0.161  1.0
  O  O15  1  0.702  0.601  0.274  1.0
  O  O16  1  0.644  0.058  0.162  1.0
  O  O17  1  0.175  0.257  0.440  1.0
  O  O18  1  0.568  0.996  1.000  1.0
[/CIF]
.