The material structure described by Ba2Cu3Zn2Tl2O10 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 three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(6) and two equivalent O(8) atoms. In the third Cu site, Cu(3) is bonded in a distorted 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 4-coordinate geometry to two equivalent O(10) and two equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(5), and two equivalent O(8) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a rectangular see-saw-like geometry to one O(4), one O(7), and two equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a rectangular see-saw-like geometry to one O(2), 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 2-coordinate geometry to two equivalent Ba(2) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Ba(2) and one Tl(2) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Ba(2), two equivalent Cu(1), and two equivalent Zn(1) atoms. In the fourth O site, O(4) is bonded in a 3-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 see-saw-like geometry to two equivalent Cu(3) and two equivalent Zn(2) atoms. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Cu(2), and one Zn(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Tl(1) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1), two equivalent Cu(2), and two equivalent Zn(2) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate 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 distorted see-saw-like geometry to two equivalent Cu(3) and two equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_Ba2Tl2Zn2Cu3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.756
_cell_length_b   3.777
_cell_length_c   19.003
_cell_angle_alpha   95.674
_cell_angle_beta   94.840
_cell_angle_gamma   90.030
_symmetry_Int_Tables_number   1
_cell_volume   267.282
_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  0.831  0.898  0.720  1.0
  Ba  Ba1  1  0.171  0.195  0.280  1.0
  Tl  Tl2  1  0.277  0.356  0.564  1.0
  Tl  Tl3  1  0.729  0.795  0.436  1.0
  Zn  Zn4  1  0.078  0.129  0.086  1.0
  Zn  Zn5  1  0.939  0.010  0.914  1.0
  Cu  Cu6  1  0.617  0.645  0.159  1.0
  Cu  Cu7  1  0.385  0.467  0.842  1.0
  Cu  Cu8  1  0.489  0.588  0.000  1.0
  O  O9  1  0.127  0.646  0.179  1.0
  O  O10  1  0.688  0.707  0.325  1.0
  O  O11  1  0.603  0.136  0.140  1.0
  O  O12  1  0.234  0.194  0.450  1.0
  O  O13  1  0.463  0.074  0.974  1.0
  O  O14  1  0.368  0.956  0.822  1.0
  O  O15  1  0.316  0.370  0.676  1.0
  O  O16  1  0.893  0.482  0.862  1.0
  O  O17  1  0.772  0.742  0.550  1.0
  O  O18  1  0.002  0.609  0.028  1.0
[/CIF]
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The material structure described by Ba2Cu3Zn2Tl2O10 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 three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(6) and two equivalent O(8) atoms. In the third Cu site, Cu(3) is bonded in a distorted 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 4-coordinate geometry to two equivalent O(10) and two equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(5), and two equivalent O(8) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a rectangular see-saw-like geometry to one O(4), one O(7), and two equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a rectangular see-saw-like geometry to one O(2), 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 2-coordinate geometry to two equivalent Ba(2) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Ba(2) and one Tl(2) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Ba(2), two equivalent Cu(1), and two equivalent Zn(1) atoms. In the fourth O site, O(4) is bonded in a 3-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 see-saw-like geometry to two equivalent Cu(3) and two equivalent Zn(2) atoms. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Cu(2), and one Zn(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Tl(1) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1), two equivalent Cu(2), and two equivalent Zn(2) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate 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 distorted see-saw-like geometry to two equivalent Cu(3) and two equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_Ba2Tl2Zn2Cu3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.756
_cell_length_b   3.777
_cell_length_c   19.003
_cell_angle_alpha   95.674
_cell_angle_beta   94.840
_cell_angle_gamma   90.030
_symmetry_Int_Tables_number   1
_cell_volume   267.282
_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  0.831  0.898  0.720  1.0
  Ba  Ba1  1  0.171  0.195  0.280  1.0
  Tl  Tl2  1  0.277  0.356  0.564  1.0
  Tl  Tl3  1  0.729  0.795  0.436  1.0
  Zn  Zn4  1  0.078  0.129  0.086  1.0
  Zn  Zn5  1  0.939  0.010  0.914  1.0
  Cu  Cu6  1  0.617  0.645  0.159  1.0
  Cu  Cu7  1  0.385  0.467  0.842  1.0
  Cu  Cu8  1  0.489  0.588  0.000  1.0
  O  O9  1  0.127  0.646  0.179  1.0
  O  O10  1  0.688  0.707  0.325  1.0
  O  O11  1  0.603  0.136  0.140  1.0
  O  O12  1  0.234  0.194  0.450  1.0
  O  O13  1  0.463  0.074  0.974  1.0
  O  O14  1  0.368  0.956  0.822  1.0
  O  O15  1  0.316  0.370  0.676  1.0
  O  O16  1  0.893  0.482  0.862  1.0
  O  O17  1  0.772  0.742  0.550  1.0
  O  O18  1  0.002  0.609  0.028  1.0
[/CIF]
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