The material described by Ba2YCo2TlO7 crystallizes in the monoclinic Pm 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(1), one O(5), one O(6), one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), one O(5), one O(6), one O(7), one O(8), two equivalent O(3), and two equivalent O(4) 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(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CoO5 square pyramids that share corners with four equivalent Co(2)O5 square pyramids and  a cornercorner with one Tl(2)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CoO5 square pyramids that share corners with four equivalent Co(1)O5 square pyramids and  a cornercorner with one Tl(1)O4 trigonal pyramid. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form TlO4 trigonal pyramids that share corners with two equivalent Co(2)O5 square pyramids and corners with two equivalent Tl(2)O4 trigonal pyramids. In the second Tl site, Tl(2) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form TlO4 trigonal pyramids that share corners with two equivalent Co(1)O5 square pyramids and corners with two equivalent Tl(1)O4 trigonal pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to two equivalent Ba(1), one Tl(1), and one Tl(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Ba(2), one Tl(1), and one Tl(2) atom. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Co(2), and one Tl(1) atom to form a mixture of distorted corner and edge-sharing OBa4TlCo octahedra. The corner-sharing octahedral tilt angles are 20°. In the fourth O site, O(4) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Co(1), and one Tl(2) atom to form a mixture of distorted corner and edge-sharing OBa4TlCo octahedra. The corner-sharing octahedral tilt angles range from 19-21°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Co(1), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Co(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Co(1), and one Co(2) atom. is represented by the CIF file [CIF]
data_Ba2YTlCo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.645
_cell_length_b   12.621
_cell_length_c   5.566
_cell_angle_alpha   90.001
_cell_angle_beta   89.928
_cell_angle_gamma   90.010
_symmetry_Int_Tables_number   1
_cell_volume   396.520
_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  0.997  0.208  0.503  1.0
  Ba  Ba1  1  0.503  0.208  0.003  1.0
  Ba  Ba2  1  0.997  0.792  0.503  1.0
  Ba  Ba3  1  0.503  0.792  0.003  1.0
  Y  Y4  1  1.000  0.500  0.502  1.0
  Y  Y5  1  0.500  0.500  0.002  1.0
  Tl  Tl6  1  0.041  0.000  0.037  1.0
  Tl  Tl7  1  0.460  0.000  0.535  1.0
  Co  Co8  1  0.500  0.370  0.502  1.0
  Co  Co9  1  0.500  0.630  0.502  1.0
  Co  Co10  1  0.000  0.368  0.002  1.0
  Co  Co11  1  0.000  0.631  0.002  1.0
  O  O12  1  0.059  0.000  0.450  1.0
  O  O13  1  0.440  0.000  0.950  1.0
  O  O14  1  0.989  0.169  0.996  1.0
  O  O15  1  0.510  0.168  0.495  1.0
  O  O16  1  0.510  0.832  0.495  1.0
  O  O17  1  0.989  0.831  0.995  1.0
  O  O18  1  0.250  0.386  0.253  1.0
  O  O19  1  0.750  0.387  0.753  1.0
  O  O20  1  0.250  0.386  0.752  1.0
  O  O21  1  0.751  0.386  0.253  1.0
  O  O22  1  0.250  0.614  0.752  1.0
  O  O23  1  0.751  0.614  0.253  1.0
  O  O24  1  0.250  0.614  0.252  1.0
  O  O25  1  0.750  0.614  0.753  1.0
[/CIF]
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The material described by Ba2YCo2TlO7 crystallizes in the monoclinic Pm 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(1), one O(5), one O(6), one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), one O(5), one O(6), one O(7), one O(8), two equivalent O(3), and two equivalent O(4) 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(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CoO5 square pyramids that share corners with four equivalent Co(2)O5 square pyramids and  a cornercorner with one Tl(2)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CoO5 square pyramids that share corners with four equivalent Co(1)O5 square pyramids and  a cornercorner with one Tl(1)O4 trigonal pyramid. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form TlO4 trigonal pyramids that share corners with two equivalent Co(2)O5 square pyramids and corners with two equivalent Tl(2)O4 trigonal pyramids. In the second Tl site, Tl(2) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form TlO4 trigonal pyramids that share corners with two equivalent Co(1)O5 square pyramids and corners with two equivalent Tl(1)O4 trigonal pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to two equivalent Ba(1), one Tl(1), and one Tl(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Ba(2), one Tl(1), and one Tl(2) atom. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Co(2), and one Tl(1) atom to form a mixture of distorted corner and edge-sharing OBa4TlCo octahedra. The corner-sharing octahedral tilt angles are 20°. In the fourth O site, O(4) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Co(1), and one Tl(2) atom to form a mixture of distorted corner and edge-sharing OBa4TlCo octahedra. The corner-sharing octahedral tilt angles range from 19-21°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Co(1), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Co(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Co(1), and one Co(2) atom. is represented by the CIF file [CIF]
data_Ba2YTlCo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.645
_cell_length_b   12.621
_cell_length_c   5.566
_cell_angle_alpha   90.001
_cell_angle_beta   89.928
_cell_angle_gamma   90.010
_symmetry_Int_Tables_number   1
_cell_volume   396.520
_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  0.997  0.208  0.503  1.0
  Ba  Ba1  1  0.503  0.208  0.003  1.0
  Ba  Ba2  1  0.997  0.792  0.503  1.0
  Ba  Ba3  1  0.503  0.792  0.003  1.0
  Y  Y4  1  1.000  0.500  0.502  1.0
  Y  Y5  1  0.500  0.500  0.002  1.0
  Tl  Tl6  1  0.041  0.000  0.037  1.0
  Tl  Tl7  1  0.460  0.000  0.535  1.0
  Co  Co8  1  0.500  0.370  0.502  1.0
  Co  Co9  1  0.500  0.630  0.502  1.0
  Co  Co10  1  0.000  0.368  0.002  1.0
  Co  Co11  1  0.000  0.631  0.002  1.0
  O  O12  1  0.059  0.000  0.450  1.0
  O  O13  1  0.440  0.000  0.950  1.0
  O  O14  1  0.989  0.169  0.996  1.0
  O  O15  1  0.510  0.168  0.495  1.0
  O  O16  1  0.510  0.832  0.495  1.0
  O  O17  1  0.989  0.831  0.995  1.0
  O  O18  1  0.250  0.386  0.253  1.0
  O  O19  1  0.750  0.387  0.753  1.0
  O  O20  1  0.250  0.386  0.752  1.0
  O  O21  1  0.751  0.386  0.253  1.0
  O  O22  1  0.250  0.614  0.752  1.0
  O  O23  1  0.751  0.614  0.253  1.0
  O  O24  1  0.250  0.614  0.252  1.0
  O  O25  1  0.750  0.614  0.753  1.0
[/CIF]
.