The structure described by Ba2Ca2Cr3Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(9), two equivalent O(6), two equivalent O(8), and four equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted 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 distorted 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 Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing CrO5 square pyramids. In the second Cr site, Cr(2) is bonded to one O(7), two equivalent O(6), and two equivalent O(8) atoms to form corner-sharing CrO5 trigonal bipyramids. In the third Cr site, Cr(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 distorted trigonal non-coplanar geometry to one O(4) and two equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a distorted trigonal non-coplanar 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 4-coordinate geometry to two equivalent Ba(2), two equivalent Ca(1), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Ba(2) and one Cr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Ca(1), and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Ba(2), one Tl(1), and two equivalent Tl(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Cr(3) atoms to form a mixture of distorted corner, edge, and face-sharing OCa4Cr2 octahedra. The corner-sharing octahedral tilt angles are 7°. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Ca(2), and two equivalent Cr(2) atoms. In the seventh O site, O(7) is bonded to four equivalent Ba(1) and one Cr(2) atom to form a mixture of distorted corner and edge-sharing OBa4Cr square pyramids. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Ca(2), and two equivalent Cr(2) atoms. In the ninth O site, O(9) is bonded in a see-saw-like 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 Cr(3) atoms to form a mixture of distorted corner, edge, and face-sharing OCa4Cr2 octahedra. The corner-sharing octahedral tilt angles are 7°. is represented by the CIF card [CIF]
data_Ba2Ca2Tl2Cr3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.924
_cell_length_b   3.937
_cell_length_c   19.155
_cell_angle_alpha   95.888
_cell_angle_beta   95.745
_cell_angle_gamma   90.055
_symmetry_Int_Tables_number   1
_cell_volume   292.873
_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  0.123  0.094  0.290  1.0
  Ba  Ba1  1  0.878  0.788  0.709  1.0
  Ca  Ca2  1  0.968  0.881  0.906  1.0
  Ca  Ca3  1  0.028  0.988  0.093  1.0
  Tl  Tl4  1  0.719  0.652  0.440  1.0
  Tl  Tl5  1  0.287  0.209  0.560  1.0
  Cr  Cr6  1  0.429  0.337  0.814  1.0
  Cr  Cr7  1  0.570  0.538  0.185  1.0
  Cr  Cr8  1  0.492  0.430  1.000  1.0
  O  O9  1  0.938  0.344  0.832  1.0
  O  O10  1  0.382  0.287  0.713  1.0
  O  O11  1  0.438  0.847  0.835  1.0
  O  O12  1  0.789  0.832  0.567  1.0
  O  O13  1  0.492  0.932  0.006  1.0
  O  O14  1  0.561  0.030  0.168  1.0
  O  O15  1  0.618  0.591  0.286  1.0
  O  O16  1  0.058  0.525  0.162  1.0
  O  O17  1  0.216  0.271  0.432  1.0
  O  O18  1  0.988  0.425  0.993  1.0
[/CIF]
.
The structure described by Ba2Ca2Cr3Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(9), two equivalent O(6), two equivalent O(8), and four equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted 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 distorted 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 Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing CrO5 square pyramids. In the second Cr site, Cr(2) is bonded to one O(7), two equivalent O(6), and two equivalent O(8) atoms to form corner-sharing CrO5 trigonal bipyramids. In the third Cr site, Cr(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 distorted trigonal non-coplanar geometry to one O(4) and two equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a distorted trigonal non-coplanar 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 4-coordinate geometry to two equivalent Ba(2), two equivalent Ca(1), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Ba(2) and one Cr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Ca(1), and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Ba(2), one Tl(1), and two equivalent Tl(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Cr(3) atoms to form a mixture of distorted corner, edge, and face-sharing OCa4Cr2 octahedra. The corner-sharing octahedral tilt angles are 7°. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Ca(2), and two equivalent Cr(2) atoms. In the seventh O site, O(7) is bonded to four equivalent Ba(1) and one Cr(2) atom to form a mixture of distorted corner and edge-sharing OBa4Cr square pyramids. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Ca(2), and two equivalent Cr(2) atoms. In the ninth O site, O(9) is bonded in a see-saw-like 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 Cr(3) atoms to form a mixture of distorted corner, edge, and face-sharing OCa4Cr2 octahedra. The corner-sharing octahedral tilt angles are 7°. is represented by the CIF card [CIF]
data_Ba2Ca2Tl2Cr3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.924
_cell_length_b   3.937
_cell_length_c   19.155
_cell_angle_alpha   95.888
_cell_angle_beta   95.745
_cell_angle_gamma   90.055
_symmetry_Int_Tables_number   1
_cell_volume   292.873
_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  0.123  0.094  0.290  1.0
  Ba  Ba1  1  0.878  0.788  0.709  1.0
  Ca  Ca2  1  0.968  0.881  0.906  1.0
  Ca  Ca3  1  0.028  0.988  0.093  1.0
  Tl  Tl4  1  0.719  0.652  0.440  1.0
  Tl  Tl5  1  0.287  0.209  0.560  1.0
  Cr  Cr6  1  0.429  0.337  0.814  1.0
  Cr  Cr7  1  0.570  0.538  0.185  1.0
  Cr  Cr8  1  0.492  0.430  1.000  1.0
  O  O9  1  0.938  0.344  0.832  1.0
  O  O10  1  0.382  0.287  0.713  1.0
  O  O11  1  0.438  0.847  0.835  1.0
  O  O12  1  0.789  0.832  0.567  1.0
  O  O13  1  0.492  0.932  0.006  1.0
  O  O14  1  0.561  0.030  0.168  1.0
  O  O15  1  0.618  0.591  0.286  1.0
  O  O16  1  0.058  0.525  0.162  1.0
  O  O17  1  0.216  0.271  0.432  1.0
  O  O18  1  0.988  0.425  0.993  1.0
[/CIF]
.