The material structure described by Os8Tl8O27 crystallizes in the tetragonal P-4m2 space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to one O(1), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form OsO6 octahedra that share corners with two equivalent Os(2)O6 octahedra, corners with four equivalent Os(1)O6 octahedra, and edges with four equivalent Tl(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 31-46°. In the second Os site, Os(2) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form OsO6 octahedra that share corners with two equivalent Os(1)O6 octahedra, corners with four equivalent Os(2)O6 octahedra, and edges with two equivalent Tl(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 35-46°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one O(2), one O(4), one O(7), one O(8), two equivalent O(3), and two equivalent O(9) atoms to form distorted TlO8 hexagonal bipyramids that share edges with four equivalent Tl(1)O8 hexagonal bipyramids, edges with two equivalent Os(2)O6 octahedra, and edges with four equivalent Os(1)O6 octahedra. In the second Tl site, Tl(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(3), and two equivalent O(6) atoms. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Os(1) and two equivalent Tl(1) atoms. In the second O site, O(8) is bonded to four equivalent Tl(1) atoms to form OTl4 tetrahedra that share corners with four equivalent O(2)Tl4 tetrahedra and edges with two equivalent O(4)Tl2Os2 tetrahedra. In the third O site, O(9) is bonded in a 4-coordinate geometry to two equivalent Os(1) and two equivalent Tl(1) atoms. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Os(1) and two equivalent Tl(2) atoms. In the fifth O site, O(2) is bonded to two equivalent Tl(1) and two equivalent Tl(2) atoms to form OTl4 tetrahedra that share corners with two equivalent O(4)Tl2Os2 tetrahedra and corners with two equivalent O(8)Tl4 tetrahedra. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to one Os(1), one Os(2), one Tl(1), and one Tl(2) atom. In the seventh O site, O(4) is bonded to two equivalent Os(2) and two equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing OTl2Os2 tetrahedra. In the eighth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Os(2) and two equivalent Tl(2) atoms. In the ninth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Os(2) and two equivalent Tl(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl8Os8O27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.374
_cell_length_b   7.374
_cell_length_c   10.443
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   567.872
_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
  Tl  Tl0  1  0.249  0.500  0.627  1.0
  Tl  Tl1  1  0.751  0.500  0.627  1.0
  Tl  Tl2  1  0.000  0.763  0.882  1.0
  Tl  Tl3  1  0.000  0.237  0.882  1.0
  Tl  Tl4  1  0.763  0.000  0.118  1.0
  Tl  Tl5  1  0.237  0.000  0.118  1.0
  Tl  Tl6  1  0.500  0.249  0.373  1.0
  Tl  Tl7  1  0.500  0.751  0.373  1.0
  Os  Os8  1  0.250  0.000  0.624  1.0
  Os  Os9  1  0.750  0.000  0.624  1.0
  Os  Os10  1  0.500  0.750  0.874  1.0
  Os  Os11  1  0.500  0.250  0.874  1.0
  Os  Os12  1  0.750  0.500  0.126  1.0
  Os  Os13  1  0.250  0.500  0.126  1.0
  Os  Os14  1  0.000  0.750  0.376  1.0
  Os  Os15  1  0.000  0.250  0.376  1.0
  O  O16  1  0.000  0.000  0.674  1.0
  O  O17  1  0.000  0.500  0.748  1.0
  O  O18  1  0.687  0.195  0.746  1.0
  O  O19  1  0.313  0.805  0.746  1.0
  O  O20  1  0.313  0.195  0.746  1.0
  O  O21  1  0.687  0.805  0.746  1.0
  O  O22  1  0.500  0.500  0.799  1.0
  O  O23  1  0.500  0.000  0.930  1.0
  O  O24  1  0.684  0.316  0.000  1.0
  O  O25  1  0.316  0.316  0.000  1.0
  O  O26  1  0.316  0.684  0.000  1.0
  O  O27  1  0.684  0.684  0.000  1.0
  O  O28  1  0.000  0.500  0.070  1.0
  O  O29  1  0.500  0.500  0.201  1.0
  O  O30  1  0.500  0.000  0.252  1.0
  O  O31  1  0.805  0.687  0.254  1.0
  O  O32  1  0.195  0.313  0.254  1.0
  O  O33  1  0.805  0.313  0.254  1.0
  O  O34  1  0.195  0.687  0.254  1.0
  O  O35  1  0.000  0.000  0.326  1.0
  O  O36  1  0.000  0.500  0.448  1.0
  O  O37  1  0.500  0.500  0.500  1.0
  O  O38  1  0.199  0.199  0.500  1.0
  O  O39  1  0.199  0.801  0.500  1.0
  O  O40  1  0.801  0.199  0.500  1.0
  O  O41  1  0.801  0.801  0.500  1.0
  O  O42  1  0.500  0.000  0.552  1.0
[/CIF]
.
The material structure described by Os8Tl8O27 crystallizes in the tetragonal P-4m2 space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to one O(1), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form OsO6 octahedra that share corners with two equivalent Os(2)O6 octahedra, corners with four equivalent Os(1)O6 octahedra, and edges with four equivalent Tl(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 31-46°. In the second Os site, Os(2) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form OsO6 octahedra that share corners with two equivalent Os(1)O6 octahedra, corners with four equivalent Os(2)O6 octahedra, and edges with two equivalent Tl(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 35-46°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one O(2), one O(4), one O(7), one O(8), two equivalent O(3), and two equivalent O(9) atoms to form distorted TlO8 hexagonal bipyramids that share edges with four equivalent Tl(1)O8 hexagonal bipyramids, edges with two equivalent Os(2)O6 octahedra, and edges with four equivalent Os(1)O6 octahedra. In the second Tl site, Tl(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(3), and two equivalent O(6) atoms. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Os(1) and two equivalent Tl(1) atoms. In the second O site, O(8) is bonded to four equivalent Tl(1) atoms to form OTl4 tetrahedra that share corners with four equivalent O(2)Tl4 tetrahedra and edges with two equivalent O(4)Tl2Os2 tetrahedra. In the third O site, O(9) is bonded in a 4-coordinate geometry to two equivalent Os(1) and two equivalent Tl(1) atoms. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Os(1) and two equivalent Tl(2) atoms. In the fifth O site, O(2) is bonded to two equivalent Tl(1) and two equivalent Tl(2) atoms to form OTl4 tetrahedra that share corners with two equivalent O(4)Tl2Os2 tetrahedra and corners with two equivalent O(8)Tl4 tetrahedra. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to one Os(1), one Os(2), one Tl(1), and one Tl(2) atom. In the seventh O site, O(4) is bonded to two equivalent Os(2) and two equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing OTl2Os2 tetrahedra. In the eighth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Os(2) and two equivalent Tl(2) atoms. In the ninth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Os(2) and two equivalent Tl(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl8Os8O27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.374
_cell_length_b   7.374
_cell_length_c   10.443
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   567.872
_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
  Tl  Tl0  1  0.249  0.500  0.627  1.0
  Tl  Tl1  1  0.751  0.500  0.627  1.0
  Tl  Tl2  1  0.000  0.763  0.882  1.0
  Tl  Tl3  1  0.000  0.237  0.882  1.0
  Tl  Tl4  1  0.763  0.000  0.118  1.0
  Tl  Tl5  1  0.237  0.000  0.118  1.0
  Tl  Tl6  1  0.500  0.249  0.373  1.0
  Tl  Tl7  1  0.500  0.751  0.373  1.0
  Os  Os8  1  0.250  0.000  0.624  1.0
  Os  Os9  1  0.750  0.000  0.624  1.0
  Os  Os10  1  0.500  0.750  0.874  1.0
  Os  Os11  1  0.500  0.250  0.874  1.0
  Os  Os12  1  0.750  0.500  0.126  1.0
  Os  Os13  1  0.250  0.500  0.126  1.0
  Os  Os14  1  0.000  0.750  0.376  1.0
  Os  Os15  1  0.000  0.250  0.376  1.0
  O  O16  1  0.000  0.000  0.674  1.0
  O  O17  1  0.000  0.500  0.748  1.0
  O  O18  1  0.687  0.195  0.746  1.0
  O  O19  1  0.313  0.805  0.746  1.0
  O  O20  1  0.313  0.195  0.746  1.0
  O  O21  1  0.687  0.805  0.746  1.0
  O  O22  1  0.500  0.500  0.799  1.0
  O  O23  1  0.500  0.000  0.930  1.0
  O  O24  1  0.684  0.316  0.000  1.0
  O  O25  1  0.316  0.316  0.000  1.0
  O  O26  1  0.316  0.684  0.000  1.0
  O  O27  1  0.684  0.684  0.000  1.0
  O  O28  1  0.000  0.500  0.070  1.0
  O  O29  1  0.500  0.500  0.201  1.0
  O  O30  1  0.500  0.000  0.252  1.0
  O  O31  1  0.805  0.687  0.254  1.0
  O  O32  1  0.195  0.313  0.254  1.0
  O  O33  1  0.805  0.313  0.254  1.0
  O  O34  1  0.195  0.687  0.254  1.0
  O  O35  1  0.000  0.000  0.326  1.0
  O  O36  1  0.000  0.500  0.448  1.0
  O  O37  1  0.500  0.500  0.500  1.0
  O  O38  1  0.199  0.199  0.500  1.0
  O  O39  1  0.199  0.801  0.500  1.0
  O  O40  1  0.801  0.199  0.500  1.0
  O  O41  1  0.801  0.801  0.500  1.0
  O  O42  1  0.500  0.000  0.552  1.0
[/CIF]
.