The structure described by Ba2YCo2TlO7 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(9), two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(10), one O(2), one O(9), two equivalent O(3), two equivalent O(4), and two equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), two equivalent O(13), two equivalent O(5), and two equivalent O(6) atoms. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(2), two equivalent O(14), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to one O(10), one O(11), one O(12), one O(9), two equivalent O(13), and two equivalent O(7) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to one O(10), one O(11), one O(12), one O(9), two equivalent O(14), and two equivalent O(8) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(7), one O(8), and two equivalent O(9) atoms. In the second Co site, Co(2) is bonded in a distorted rectangular see-saw-like geometry to one O(13), one O(14), one O(5), and two equivalent O(12) atoms. In the third Co site, Co(3) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(7), one O(8), and two equivalent O(10) atoms. In the fourth Co site, Co(4) is bonded to one O(13), one O(14), one O(6), and two equivalent O(11) atoms to form distorted corner-sharing CoO5 square pyramids. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted T-shaped geometry to one O(3), one O(5), and two equivalent O(1) atoms. In the second Tl site, Tl(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(6), and two equivalent O(2) atoms. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Tl(2), and two equivalent Tl(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), and two equivalent Tl(2) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Co(3), and one Tl(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Co(1), and one Tl(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Ba(4), one Co(2), and one Tl(1) atom. In the sixth O site, O(6) is bonded to two equivalent Ba(3), two equivalent Ba(4), one Co(4), and one Tl(2) atom to form distorted edge-sharing OBa4TlCo octahedra. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), one Co(1), and one Co(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), one Co(1), and one Co(3) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), and two equivalent Co(1) atoms. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), and two equivalent Co(3) atoms. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), one Y(1), one Y(2), and two equivalent Co(4) atoms. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), one Y(1), one Y(2), and two equivalent Co(2) atoms. In the thirteenth O site, O(13) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), one Co(2), and one Co(4) atom. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to two equivalent Ba(4), two equivalent Y(2), one Co(2), and one Co(4) atom. is represented by the CIF card [CIF]
data_Ba2YTlCo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.923
_cell_length_b   3.959
_cell_length_c   12.762
_cell_angle_alpha   89.995
_cell_angle_beta   90.007
_cell_angle_gamma   89.509
_symmetry_Int_Tables_number   1
_cell_volume   198.183
_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  0.497  0.498  0.794  1.0
  Ba  Ba1  1  0.498  0.499  0.207  1.0
  Co  Co2  1  0.997  0.998  0.626  1.0
  Co  Co3  1  0.998  1.000  0.367  1.0
  O  O4  1  0.551  0.549  0.002  1.0
  O  O5  1  0.008  0.008  0.836  1.0
  O  O6  1  0.007  0.007  0.169  1.0
  O  O7  1  0.497  0.997  0.614  1.0
  O  O8  1  0.996  0.498  0.612  1.0
  O  O9  1  0.996  0.495  0.385  1.0
  O  O10  1  0.497  0.995  0.388  1.0
  Tl  Tl11  1  0.961  0.960  0.002  1.0
  Y  Y12  1  0.497  0.497  0.498  1.0
[/CIF]
.
The structure described by Ba2YCo2TlO7 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(9), two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(10), one O(2), one O(9), two equivalent O(3), two equivalent O(4), and two equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), two equivalent O(13), two equivalent O(5), and two equivalent O(6) atoms. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(2), two equivalent O(14), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to one O(10), one O(11), one O(12), one O(9), two equivalent O(13), and two equivalent O(7) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to one O(10), one O(11), one O(12), one O(9), two equivalent O(14), and two equivalent O(8) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(7), one O(8), and two equivalent O(9) atoms. In the second Co site, Co(2) is bonded in a distorted rectangular see-saw-like geometry to one O(13), one O(14), one O(5), and two equivalent O(12) atoms. In the third Co site, Co(3) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(7), one O(8), and two equivalent O(10) atoms. In the fourth Co site, Co(4) is bonded to one O(13), one O(14), one O(6), and two equivalent O(11) atoms to form distorted corner-sharing CoO5 square pyramids. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted T-shaped geometry to one O(3), one O(5), and two equivalent O(1) atoms. In the second Tl site, Tl(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(6), and two equivalent O(2) atoms. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Tl(2), and two equivalent Tl(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), and two equivalent Tl(2) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Co(3), and one Tl(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Co(1), and one Tl(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Ba(4), one Co(2), and one Tl(1) atom. In the sixth O site, O(6) is bonded to two equivalent Ba(3), two equivalent Ba(4), one Co(4), and one Tl(2) atom to form distorted edge-sharing OBa4TlCo octahedra. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), one Co(1), and one Co(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), one Co(1), and one Co(3) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), and two equivalent Co(1) atoms. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), and two equivalent Co(3) atoms. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), one Y(1), one Y(2), and two equivalent Co(4) atoms. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), one Y(1), one Y(2), and two equivalent Co(2) atoms. In the thirteenth O site, O(13) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), one Co(2), and one Co(4) atom. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to two equivalent Ba(4), two equivalent Y(2), one Co(2), and one Co(4) atom. is represented by the CIF card [CIF]
data_Ba2YTlCo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.923
_cell_length_b   3.959
_cell_length_c   12.762
_cell_angle_alpha   89.995
_cell_angle_beta   90.007
_cell_angle_gamma   89.509
_symmetry_Int_Tables_number   1
_cell_volume   198.183
_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  0.497  0.498  0.794  1.0
  Ba  Ba1  1  0.498  0.499  0.207  1.0
  Co  Co2  1  0.997  0.998  0.626  1.0
  Co  Co3  1  0.998  1.000  0.367  1.0
  O  O4  1  0.551  0.549  0.002  1.0
  O  O5  1  0.008  0.008  0.836  1.0
  O  O6  1  0.007  0.007  0.169  1.0
  O  O7  1  0.497  0.997  0.614  1.0
  O  O8  1  0.996  0.498  0.612  1.0
  O  O9  1  0.996  0.495  0.385  1.0
  O  O10  1  0.497  0.995  0.388  1.0
  Tl  Tl11  1  0.961  0.960  0.002  1.0
  Y  Y12  1  0.497  0.497  0.498  1.0
[/CIF]
.