The compound described by Ba2Cr3Zn2Tl2O10 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 to one O(4) and four equivalent O(2) atoms to form distorted BaO5 trigonal bipyramids that share corners with four equivalent Ba(2)O5 trigonal bipyramids, corners with four equivalent Cr(1)O5 trigonal bipyramids, and edges with four equivalent Ba(2)O5 trigonal bipyramids. 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 CrO5 trigonal bipyramids that share corners with four equivalent Ba(2)O5 trigonal bipyramids and corners with four equivalent Cr(1)O5 trigonal bipyramids. 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 CrO5 trigonal bipyramids that share corners with four equivalent Cr(2)O5 trigonal bipyramids and edges with four equivalent Zn(2)O5 trigonal bipyramids. In the third Cr site, Cr(3) is bonded in a square co-planar 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(10), two equivalent O(1), and two equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded to one O(5), two equivalent O(6), and two equivalent O(8) atoms to form distorted ZnO5 trigonal bipyramids that share corners with four equivalent Zn(2)O5 trigonal bipyramids and edges with four equivalent Cr(2)O5 trigonal bipyramids. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted T-shaped geometry to one O(4) and two equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a distorted T-shaped 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 Cr(1) and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(2) and one Cr(1) atom to form a mixture of distorted corner and edge-sharing OBa4Cr square pyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Cr(1) and two equivalent Zn(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 in a T-shaped geometry to two equivalent Cr(3) and one Zn(2) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to two equivalent Cr(2) and two equivalent Zn(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 distorted see-saw-like geometry to two equivalent Cr(2) and two equivalent Zn(2) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular 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 in a T-shaped geometry to two equivalent Cr(3) and one Zn(1) atom. is represented by the CIF card [CIF]
data_Ba2Tl2Zn2Cr3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.890
_cell_length_b   3.902
_cell_length_c   19.397
_cell_angle_alpha   89.874
_cell_angle_beta   88.937
_cell_angle_gamma   89.636
_symmetry_Int_Tables_number   1
_cell_volume   294.370
_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  0.207  0.808  0.703  1.0
  Ba  Ba1  1  0.845  0.152  0.300  1.0
  Tl  Tl2  1  0.743  0.253  0.559  1.0
  Tl  Tl3  1  0.272  0.719  0.444  1.0
  Zn  Zn4  1  0.876  0.139  0.115  1.0
  Zn  Zn5  1  0.187  0.804  0.887  1.0
  Cr  Cr6  1  0.370  0.648  0.181  1.0
  Cr  Cr7  1  0.702  0.308  0.820  1.0
  Cr  Cr8  1  0.375  0.280  0.999  1.0
  O  O9  1  0.872  0.653  0.162  1.0
  O  O10  1  0.355  0.645  0.280  1.0
  O  O11  1  0.372  0.148  0.158  1.0
  O  O12  1  0.783  0.329  0.433  1.0
  O  O13  1  0.359  0.776  0.981  1.0
  O  O14  1  0.712  0.809  0.838  1.0
  O  O15  1  0.702  0.312  0.721  1.0
  O  O16  1  0.201  0.306  0.843  1.0
  O  O17  1  0.216  0.656  0.569  1.0
  O  O18  1  0.868  0.265  0.017  1.0
[/CIF]
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The compound described by Ba2Cr3Zn2Tl2O10 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 to one O(4) and four equivalent O(2) atoms to form distorted BaO5 trigonal bipyramids that share corners with four equivalent Ba(2)O5 trigonal bipyramids, corners with four equivalent Cr(1)O5 trigonal bipyramids, and edges with four equivalent Ba(2)O5 trigonal bipyramids. 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 CrO5 trigonal bipyramids that share corners with four equivalent Ba(2)O5 trigonal bipyramids and corners with four equivalent Cr(1)O5 trigonal bipyramids. 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 CrO5 trigonal bipyramids that share corners with four equivalent Cr(2)O5 trigonal bipyramids and edges with four equivalent Zn(2)O5 trigonal bipyramids. In the third Cr site, Cr(3) is bonded in a square co-planar 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(10), two equivalent O(1), and two equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded to one O(5), two equivalent O(6), and two equivalent O(8) atoms to form distorted ZnO5 trigonal bipyramids that share corners with four equivalent Zn(2)O5 trigonal bipyramids and edges with four equivalent Cr(2)O5 trigonal bipyramids. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted T-shaped geometry to one O(4) and two equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a distorted T-shaped 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 Cr(1) and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(2) and one Cr(1) atom to form a mixture of distorted corner and edge-sharing OBa4Cr square pyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Cr(1) and two equivalent Zn(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 in a T-shaped geometry to two equivalent Cr(3) and one Zn(2) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to two equivalent Cr(2) and two equivalent Zn(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 distorted see-saw-like geometry to two equivalent Cr(2) and two equivalent Zn(2) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular 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 in a T-shaped geometry to two equivalent Cr(3) and one Zn(1) atom. is represented by the CIF card [CIF]
data_Ba2Tl2Zn2Cr3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.890
_cell_length_b   3.902
_cell_length_c   19.397
_cell_angle_alpha   89.874
_cell_angle_beta   88.937
_cell_angle_gamma   89.636
_symmetry_Int_Tables_number   1
_cell_volume   294.370
_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  0.207  0.808  0.703  1.0
  Ba  Ba1  1  0.845  0.152  0.300  1.0
  Tl  Tl2  1  0.743  0.253  0.559  1.0
  Tl  Tl3  1  0.272  0.719  0.444  1.0
  Zn  Zn4  1  0.876  0.139  0.115  1.0
  Zn  Zn5  1  0.187  0.804  0.887  1.0
  Cr  Cr6  1  0.370  0.648  0.181  1.0
  Cr  Cr7  1  0.702  0.308  0.820  1.0
  Cr  Cr8  1  0.375  0.280  0.999  1.0
  O  O9  1  0.872  0.653  0.162  1.0
  O  O10  1  0.355  0.645  0.280  1.0
  O  O11  1  0.372  0.148  0.158  1.0
  O  O12  1  0.783  0.329  0.433  1.0
  O  O13  1  0.359  0.776  0.981  1.0
  O  O14  1  0.712  0.809  0.838  1.0
  O  O15  1  0.702  0.312  0.721  1.0
  O  O16  1  0.201  0.306  0.843  1.0
  O  O17  1  0.216  0.656  0.569  1.0
  O  O18  1  0.868  0.265  0.017  1.0
[/CIF]
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