The material 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), two equivalent O(7), two equivalent O(9), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(10), two equivalent O(8), and four equivalent O(4) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(11), two equivalent O(13), and four equivalent O(5) atoms. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(12), two equivalent O(14), and four 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 two equivalent O(11), two equivalent O(13), two equivalent O(7), and two equivalent O(9) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to two equivalent O(10), two equivalent O(12), 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 to one O(4), two equivalent O(10), and two equivalent O(8) atoms to form distorted corner-sharing CoO5 trigonal bipyramids. In the second Co site, Co(2) is bonded to one O(6), two equivalent O(12), and two equivalent O(14) atoms to form corner-sharing CoO5 square pyramids. In the third Co site, Co(3) is bonded to one O(3), two equivalent O(7), and two equivalent O(9) atoms to form corner-sharing CoO5 square pyramids. In the fourth Co site, Co(4) is bonded to one O(5), two equivalent O(11), and two equivalent O(13) atoms to form distorted corner-sharing CoO5 trigonal bipyramids. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a see-saw-like geometry to one O(3), one O(6), and two equivalent O(1) atoms. In the second Tl site, Tl(2) is bonded in a 5-coordinate geometry to one O(4), one O(5), and three equivalent O(2) atoms. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Ba(1), one Ba(4), and two equivalent Tl(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), and three equivalent Tl(2) atoms. In the third O site, O(3) is bonded to four equivalent Ba(1), one Co(3), and one Tl(1) atom to form distorted OBa4TlCo octahedra that share  a cornercorner with one O(6)Ba4TlCo octahedra, corners with four equivalent O(7)Ba2Y2Co2 octahedra, corners with four equivalent O(3)Ba4TlCo octahedra, edges with four equivalent O(3)Ba4TlCo octahedra, and faces with two equivalent O(7)Ba2Y2Co2 octahedra. The corner-sharing octahedral tilt angles range from 18-55°. In the fourth O site, O(4) is bonded to four equivalent Ba(2), one Co(1), and one Tl(2) atom to form a mixture of corner and edge-sharing OBa4TlCo octahedra. The corner-sharing octahedral tilt angles are 4°. In the fifth O site, O(5) is bonded to four equivalent Ba(3), one Co(4), and one Tl(2) atom to form a mixture of corner and edge-sharing OBa4TlCo octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the sixth O site, O(6) is bonded to four equivalent Ba(4), one Co(2), and one Tl(1) atom to form distorted OBa4TlCo octahedra that share  a cornercorner with one O(3)Ba4TlCo octahedra, corners with four equivalent O(14)Ba2Y2Co2 octahedra, corners with four equivalent O(6)Ba4TlCo octahedra, edges with four equivalent O(6)Ba4TlCo octahedra, and faces with two equivalent O(14)Ba2Y2Co2 octahedra. The corner-sharing octahedral tilt angles range from 18-55°. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Y(1), and two equivalent Co(3) atoms to form distorted OBa2Y2Co2 octahedra that share corners with two equivalent O(7)Ba2Y2Co2 octahedra, corners with four equivalent O(3)Ba4TlCo octahedra, edges with two equivalent O(7)Ba2Y2Co2 octahedra, and faces with two equivalent O(3)Ba4TlCo octahedra. The corner-sharing octahedral tilt angles range from 12-55°. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), and two equivalent Co(1) atoms. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Co(3) atoms. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), and two equivalent Co(1) atoms. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), and two equivalent Co(4) atoms. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to two equivalent Ba(4), two equivalent Y(2), and two equivalent Co(2) atoms. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), and two equivalent Co(4) atoms. In the fourteenth O site, O(14) is bonded to two equivalent Ba(4), two equivalent Y(2), and two equivalent Co(2) atoms to form distorted OBa2Y2Co2 octahedra that share corners with two equivalent O(14)Ba2Y2Co2 octahedra, corners with four equivalent O(6)Ba4TlCo octahedra, edges with two equivalent O(14)Ba2Y2Co2 octahedra, and faces with two equivalent O(6)Ba4TlCo octahedra. The corner-sharing octahedral tilt angles range from 13-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YTlCo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.952
_cell_length_b   25.386
_cell_length_c   3.935
_cell_angle_alpha   89.879
_cell_angle_beta   89.567
_cell_angle_gamma   89.909
_symmetry_Int_Tables_number   1
_cell_volume   394.771
_cell_formula_units_Z   2
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  0.507  0.103  0.501  1.0
  Ba  Ba1  1  0.506  0.604  0.508  1.0
  Ba  Ba2  1  0.503  0.395  0.501  1.0
  Ba  Ba3  1  0.506  0.896  0.499  1.0
  Y  Y4  1  0.503  0.250  0.503  1.0
  Y  Y5  1  0.505  0.750  0.504  1.0
  Tl  Tl6  1  0.076  1.000  0.999  1.0
  Tl  Tl7  1  0.020  0.500  0.014  1.0
  Co  Co8  1  0.005  0.680  0.005  1.0
  Co  Co9  1  0.004  0.820  0.001  1.0
  Co  Co10  1  0.004  0.181  0.002  1.0
  Co  Co11  1  0.003  0.320  0.002  1.0
  O  O12  1  0.397  1.000  0.495  1.0
  O  O13  1  0.434  0.500  0.441  1.0
  O  O14  1  0.991  0.084  0.998  1.0
  O  O15  1  0.004  0.600  0.005  1.0
  O  O16  1  0.001  0.400  1.000  1.0
  O  O17  1  0.993  0.915  0.998  1.0
  O  O18  1  0.504  0.189  0.003  1.0
  O  O19  1  0.504  0.698  0.004  1.0
  O  O20  1  0.006  0.189  0.502  1.0
  O  O21  1  0.006  0.698  0.502  1.0
  O  O22  1  0.004  0.302  0.503  1.0
  O  O23  1  0.006  0.811  0.504  1.0
  O  O24  1  0.503  0.302  0.003  1.0
  O  O25  1  0.506  0.811  0.002  1.0
[/CIF]
.
The material 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), two equivalent O(7), two equivalent O(9), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(10), two equivalent O(8), and four equivalent O(4) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(11), two equivalent O(13), and four equivalent O(5) atoms. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(12), two equivalent O(14), and four 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 two equivalent O(11), two equivalent O(13), two equivalent O(7), and two equivalent O(9) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to two equivalent O(10), two equivalent O(12), 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 to one O(4), two equivalent O(10), and two equivalent O(8) atoms to form distorted corner-sharing CoO5 trigonal bipyramids. In the second Co site, Co(2) is bonded to one O(6), two equivalent O(12), and two equivalent O(14) atoms to form corner-sharing CoO5 square pyramids. In the third Co site, Co(3) is bonded to one O(3), two equivalent O(7), and two equivalent O(9) atoms to form corner-sharing CoO5 square pyramids. In the fourth Co site, Co(4) is bonded to one O(5), two equivalent O(11), and two equivalent O(13) atoms to form distorted corner-sharing CoO5 trigonal bipyramids. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a see-saw-like geometry to one O(3), one O(6), and two equivalent O(1) atoms. In the second Tl site, Tl(2) is bonded in a 5-coordinate geometry to one O(4), one O(5), and three equivalent O(2) atoms. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Ba(1), one Ba(4), and two equivalent Tl(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), and three equivalent Tl(2) atoms. In the third O site, O(3) is bonded to four equivalent Ba(1), one Co(3), and one Tl(1) atom to form distorted OBa4TlCo octahedra that share  a cornercorner with one O(6)Ba4TlCo octahedra, corners with four equivalent O(7)Ba2Y2Co2 octahedra, corners with four equivalent O(3)Ba4TlCo octahedra, edges with four equivalent O(3)Ba4TlCo octahedra, and faces with two equivalent O(7)Ba2Y2Co2 octahedra. The corner-sharing octahedral tilt angles range from 18-55°. In the fourth O site, O(4) is bonded to four equivalent Ba(2), one Co(1), and one Tl(2) atom to form a mixture of corner and edge-sharing OBa4TlCo octahedra. The corner-sharing octahedral tilt angles are 4°. In the fifth O site, O(5) is bonded to four equivalent Ba(3), one Co(4), and one Tl(2) atom to form a mixture of corner and edge-sharing OBa4TlCo octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the sixth O site, O(6) is bonded to four equivalent Ba(4), one Co(2), and one Tl(1) atom to form distorted OBa4TlCo octahedra that share  a cornercorner with one O(3)Ba4TlCo octahedra, corners with four equivalent O(14)Ba2Y2Co2 octahedra, corners with four equivalent O(6)Ba4TlCo octahedra, edges with four equivalent O(6)Ba4TlCo octahedra, and faces with two equivalent O(14)Ba2Y2Co2 octahedra. The corner-sharing octahedral tilt angles range from 18-55°. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Y(1), and two equivalent Co(3) atoms to form distorted OBa2Y2Co2 octahedra that share corners with two equivalent O(7)Ba2Y2Co2 octahedra, corners with four equivalent O(3)Ba4TlCo octahedra, edges with two equivalent O(7)Ba2Y2Co2 octahedra, and faces with two equivalent O(3)Ba4TlCo octahedra. The corner-sharing octahedral tilt angles range from 12-55°. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), and two equivalent Co(1) atoms. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Co(3) atoms. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), and two equivalent Co(1) atoms. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), and two equivalent Co(4) atoms. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to two equivalent Ba(4), two equivalent Y(2), and two equivalent Co(2) atoms. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), and two equivalent Co(4) atoms. In the fourteenth O site, O(14) is bonded to two equivalent Ba(4), two equivalent Y(2), and two equivalent Co(2) atoms to form distorted OBa2Y2Co2 octahedra that share corners with two equivalent O(14)Ba2Y2Co2 octahedra, corners with four equivalent O(6)Ba4TlCo octahedra, edges with two equivalent O(14)Ba2Y2Co2 octahedra, and faces with two equivalent O(6)Ba4TlCo octahedra. The corner-sharing octahedral tilt angles range from 13-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YTlCo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.952
_cell_length_b   25.386
_cell_length_c   3.935
_cell_angle_alpha   89.879
_cell_angle_beta   89.567
_cell_angle_gamma   89.909
_symmetry_Int_Tables_number   1
_cell_volume   394.771
_cell_formula_units_Z   2
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  0.507  0.103  0.501  1.0
  Ba  Ba1  1  0.506  0.604  0.508  1.0
  Ba  Ba2  1  0.503  0.395  0.501  1.0
  Ba  Ba3  1  0.506  0.896  0.499  1.0
  Y  Y4  1  0.503  0.250  0.503  1.0
  Y  Y5  1  0.505  0.750  0.504  1.0
  Tl  Tl6  1  0.076  1.000  0.999  1.0
  Tl  Tl7  1  0.020  0.500  0.014  1.0
  Co  Co8  1  0.005  0.680  0.005  1.0
  Co  Co9  1  0.004  0.820  0.001  1.0
  Co  Co10  1  0.004  0.181  0.002  1.0
  Co  Co11  1  0.003  0.320  0.002  1.0
  O  O12  1  0.397  1.000  0.495  1.0
  O  O13  1  0.434  0.500  0.441  1.0
  O  O14  1  0.991  0.084  0.998  1.0
  O  O15  1  0.004  0.600  0.005  1.0
  O  O16  1  0.001  0.400  1.000  1.0
  O  O17  1  0.993  0.915  0.998  1.0
  O  O18  1  0.504  0.189  0.003  1.0
  O  O19  1  0.504  0.698  0.004  1.0
  O  O20  1  0.006  0.189  0.502  1.0
  O  O21  1  0.006  0.698  0.502  1.0
  O  O22  1  0.004  0.302  0.503  1.0
  O  O23  1  0.006  0.811  0.504  1.0
  O  O24  1  0.503  0.302  0.003  1.0
  O  O25  1  0.506  0.811  0.002  1.0
[/CIF]
.