The compound described by Ba2Fe3Zn2Tl2O10 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 Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded in a distorted rectangular see-saw-like geometry to one O(7), two equivalent O(6), and two equivalent O(8) atoms. In the third Fe site, Fe(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 Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(5), and two equivalent O(1) atoms. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to one O(10), one O(5), one O(6), and one O(8) atom. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted 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 distorted 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 6-coordinate geometry to two equivalent Ba(2), two equivalent Fe(1), and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ba(2), one Fe(1), and one Tl(2) atom. In the third O site, O(3) is bonded to two equivalent Ba(2), two equivalent Fe(1), and one Zn(1) atom to form distorted corner-sharing OBa2ZnFe2 square pyramids. In the fourth O site, O(4) is bonded in a distorted 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 rectangular see-saw-like geometry to two equivalent Fe(3), one Zn(1), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Ba(1), two equivalent Fe(2), and one Zn(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Fe(2), and one Tl(1) atom. In the eighth O site, O(8) is bonded to two equivalent Ba(1), two equivalent Fe(2), and one Zn(2) atom to form distorted corner-sharing OBa2ZnFe2 square pyramids. In the ninth O site, O(9) is bonded in a distorted 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 rectangular see-saw-like geometry to two equivalent Fe(3), one Zn(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_Ba2Tl2Zn2Fe3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.984
_cell_length_b   4.019
_cell_length_c   17.818
_cell_angle_alpha   94.846
_cell_angle_beta   94.143
_cell_angle_gamma   90.500
_symmetry_Int_Tables_number   1
_cell_volume   283.534
_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  0.848  0.870  0.720  1.0
  Ba  Ba1  1  0.194  0.182  0.281  1.0
  Tl  Tl2  1  0.281  0.372  0.564  1.0
  Tl  Tl3  1  0.735  0.819  0.437  1.0
  Zn  Zn4  1  0.052  0.122  0.089  1.0
  Zn  Zn5  1  0.970  0.030  0.912  1.0
  Fe  Fe6  1  0.650  0.625  0.160  1.0
  Fe  Fe7  1  0.402  0.418  0.839  1.0
  Fe  Fe8  1  0.417  0.674  0.001  1.0
  O  O9  1  0.155  0.618  0.161  1.0
  O  O10  1  0.698  0.700  0.318  1.0
  O  O11  1  0.685  0.125  0.164  1.0
  O  O12  1  0.242  0.159  0.448  1.0
  O  O13  1  0.360  0.193  0.007  1.0
  O  O14  1  0.382  0.910  0.837  1.0
  O  O15  1  0.330  0.358  0.684  1.0
  O  O16  1  0.897  0.380  0.838  1.0
  O  O17  1  0.780  0.702  0.554  1.0
  O  O18  1  0.901  0.740  0.995  1.0
[/CIF]
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The compound described by Ba2Fe3Zn2Tl2O10 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 Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded in a distorted rectangular see-saw-like geometry to one O(7), two equivalent O(6), and two equivalent O(8) atoms. In the third Fe site, Fe(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 Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(5), and two equivalent O(1) atoms. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to one O(10), one O(5), one O(6), and one O(8) atom. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted 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 distorted 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 6-coordinate geometry to two equivalent Ba(2), two equivalent Fe(1), and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ba(2), one Fe(1), and one Tl(2) atom. In the third O site, O(3) is bonded to two equivalent Ba(2), two equivalent Fe(1), and one Zn(1) atom to form distorted corner-sharing OBa2ZnFe2 square pyramids. In the fourth O site, O(4) is bonded in a distorted 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 rectangular see-saw-like geometry to two equivalent Fe(3), one Zn(1), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Ba(1), two equivalent Fe(2), and one Zn(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Fe(2), and one Tl(1) atom. In the eighth O site, O(8) is bonded to two equivalent Ba(1), two equivalent Fe(2), and one Zn(2) atom to form distorted corner-sharing OBa2ZnFe2 square pyramids. In the ninth O site, O(9) is bonded in a distorted 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 rectangular see-saw-like geometry to two equivalent Fe(3), one Zn(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_Ba2Tl2Zn2Fe3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.984
_cell_length_b   4.019
_cell_length_c   17.818
_cell_angle_alpha   94.846
_cell_angle_beta   94.143
_cell_angle_gamma   90.500
_symmetry_Int_Tables_number   1
_cell_volume   283.534
_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  0.848  0.870  0.720  1.0
  Ba  Ba1  1  0.194  0.182  0.281  1.0
  Tl  Tl2  1  0.281  0.372  0.564  1.0
  Tl  Tl3  1  0.735  0.819  0.437  1.0
  Zn  Zn4  1  0.052  0.122  0.089  1.0
  Zn  Zn5  1  0.970  0.030  0.912  1.0
  Fe  Fe6  1  0.650  0.625  0.160  1.0
  Fe  Fe7  1  0.402  0.418  0.839  1.0
  Fe  Fe8  1  0.417  0.674  0.001  1.0
  O  O9  1  0.155  0.618  0.161  1.0
  O  O10  1  0.698  0.700  0.318  1.0
  O  O11  1  0.685  0.125  0.164  1.0
  O  O12  1  0.242  0.159  0.448  1.0
  O  O13  1  0.360  0.193  0.007  1.0
  O  O14  1  0.382  0.910  0.837  1.0
  O  O15  1  0.330  0.358  0.684  1.0
  O  O16  1  0.897  0.380  0.838  1.0
  O  O17  1  0.780  0.702  0.554  1.0
  O  O18  1  0.901  0.740  0.995  1.0
[/CIF]
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