The material structure described by Tl5SbO5 crystallizes in the orthorhombic Cmc2_1 space group. There are six inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(5) atoms. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to two equivalent O(6) atoms. In the third Tl site, Tl(3) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. In the fourth Tl site, Tl(4) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. In the fifth Tl site, Tl(5) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(7) atom. In the sixth Tl site, Tl(6) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(6) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(3), one O(4), two equivalent O(6), and two equivalent O(7) atoms to form edge-sharing SbO6 octahedra. In the second Sb site, Sb(2) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(7) atoms to form edge-sharing SbO6 octahedra. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a 3-coordinate geometry to one Tl(5), one Sb(1), and one Sb(2) atom. In the second O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Tl(4), two equivalent Tl(6), and one Sb(2) atom. In the third O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Tl(4), two equivalent Tl(5), and one Sb(2) atom. In the fourth O site, O(3) is bonded to one Tl(1), two equivalent Tl(4), and one Sb(1) atom to form distorted corner-sharing OTl3Sb tetrahedra. In the fifth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Tl(3), two equivalent Tl(5), and one Sb(1) atom. In the sixth O site, O(5) is bonded to one Tl(1), one Tl(3), one Tl(6), and one Sb(2) atom to form a mixture of distorted edge and corner-sharing OTl3Sb tetrahedra. In the seventh O site, O(6) is bonded to one Tl(2), one Tl(3), one Tl(6), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing OTl3Sb tetrahedra. is represented by the CIF card [CIF]
data_Tl5SbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.059
_cell_length_b   8.059
_cell_length_c   13.751
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.184
_symmetry_Int_Tables_number   1
_cell_volume   889.398
_cell_formula_units_Z   4
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  0.738  0.262  0.100  1.0
  Tl  Tl1  1  0.262  0.738  0.600  1.0
  Tl  Tl2  1  0.481  0.519  0.760  1.0
  Tl  Tl3  1  0.519  0.481  0.260  1.0
  Tl  Tl4  1  0.314  0.358  0.004  1.0
  Tl  Tl5  1  0.686  0.642  0.504  1.0
  Tl  Tl6  1  0.642  0.686  0.004  1.0
  Tl  Tl7  1  0.358  0.314  0.504  1.0
  Tl  Tl8  1  0.199  0.123  0.746  1.0
  Tl  Tl9  1  0.801  0.877  0.246  1.0
  Tl  Tl10  1  0.877  0.801  0.746  1.0
  Tl  Tl11  1  0.123  0.199  0.246  1.0
  Tl  Tl12  1  0.962  0.366  0.612  1.0
  Tl  Tl13  1  0.038  0.634  0.112  1.0
  Tl  Tl14  1  0.634  0.038  0.612  1.0
  Tl  Tl15  1  0.366  0.962  0.112  1.0
  Tl  Tl16  1  0.924  0.400  0.866  1.0
  Tl  Tl17  1  0.076  0.600  0.366  1.0
  Tl  Tl18  1  0.600  0.076  0.866  1.0
  Tl  Tl19  1  0.400  0.924  0.366  1.0
  Sb  Sb20  1  0.244  0.756  0.895  1.0
  Sb  Sb21  1  0.756  0.244  0.395  1.0
  Sb  Sb22  1  0.007  0.993  0.480  1.0
  Sb  Sb23  1  0.993  0.007  0.980  1.0
  O  O24  1  0.063  0.937  0.344  1.0
  O  O25  1  0.937  0.063  0.844  1.0
  O  O26  1  0.946  0.054  0.614  1.0
  O  O27  1  0.054  0.946  0.114  1.0
  O  O28  1  0.822  0.178  0.263  1.0
  O  O29  1  0.178  0.822  0.763  1.0
  O  O30  1  0.694  0.306  0.531  1.0
  O  O31  1  0.306  0.694  0.031  1.0
  O  O32  1  0.249  0.018  0.513  1.0
  O  O33  1  0.751  0.982  0.013  1.0
  O  O34  1  0.982  0.751  0.513  1.0
  O  O35  1  0.018  0.249  0.013  1.0
  O  O36  1  0.485  0.779  0.861  1.0
  O  O37  1  0.515  0.221  0.361  1.0
  O  O38  1  0.221  0.515  0.861  1.0
  O  O39  1  0.779  0.485  0.361  1.0
  O  O40  1  0.242  0.999  0.941  1.0
  O  O41  1  0.758  0.001  0.441  1.0
  O  O42  1  0.001  0.758  0.941  1.0
  O  O43  1  0.999  0.242  0.441  1.0
[/CIF]
.
The material structure described by Tl5SbO5 crystallizes in the orthorhombic Cmc2_1 space group. There are six inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(5) atoms. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to two equivalent O(6) atoms. In the third Tl site, Tl(3) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. In the fourth Tl site, Tl(4) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. In the fifth Tl site, Tl(5) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(7) atom. In the sixth Tl site, Tl(6) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(6) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(3), one O(4), two equivalent O(6), and two equivalent O(7) atoms to form edge-sharing SbO6 octahedra. In the second Sb site, Sb(2) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(7) atoms to form edge-sharing SbO6 octahedra. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a 3-coordinate geometry to one Tl(5), one Sb(1), and one Sb(2) atom. In the second O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Tl(4), two equivalent Tl(6), and one Sb(2) atom. In the third O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Tl(4), two equivalent Tl(5), and one Sb(2) atom. In the fourth O site, O(3) is bonded to one Tl(1), two equivalent Tl(4), and one Sb(1) atom to form distorted corner-sharing OTl3Sb tetrahedra. In the fifth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Tl(3), two equivalent Tl(5), and one Sb(1) atom. In the sixth O site, O(5) is bonded to one Tl(1), one Tl(3), one Tl(6), and one Sb(2) atom to form a mixture of distorted edge and corner-sharing OTl3Sb tetrahedra. In the seventh O site, O(6) is bonded to one Tl(2), one Tl(3), one Tl(6), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing OTl3Sb tetrahedra. is represented by the CIF card [CIF]
data_Tl5SbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.059
_cell_length_b   8.059
_cell_length_c   13.751
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.184
_symmetry_Int_Tables_number   1
_cell_volume   889.398
_cell_formula_units_Z   4
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  0.738  0.262  0.100  1.0
  Tl  Tl1  1  0.262  0.738  0.600  1.0
  Tl  Tl2  1  0.481  0.519  0.760  1.0
  Tl  Tl3  1  0.519  0.481  0.260  1.0
  Tl  Tl4  1  0.314  0.358  0.004  1.0
  Tl  Tl5  1  0.686  0.642  0.504  1.0
  Tl  Tl6  1  0.642  0.686  0.004  1.0
  Tl  Tl7  1  0.358  0.314  0.504  1.0
  Tl  Tl8  1  0.199  0.123  0.746  1.0
  Tl  Tl9  1  0.801  0.877  0.246  1.0
  Tl  Tl10  1  0.877  0.801  0.746  1.0
  Tl  Tl11  1  0.123  0.199  0.246  1.0
  Tl  Tl12  1  0.962  0.366  0.612  1.0
  Tl  Tl13  1  0.038  0.634  0.112  1.0
  Tl  Tl14  1  0.634  0.038  0.612  1.0
  Tl  Tl15  1  0.366  0.962  0.112  1.0
  Tl  Tl16  1  0.924  0.400  0.866  1.0
  Tl  Tl17  1  0.076  0.600  0.366  1.0
  Tl  Tl18  1  0.600  0.076  0.866  1.0
  Tl  Tl19  1  0.400  0.924  0.366  1.0
  Sb  Sb20  1  0.244  0.756  0.895  1.0
  Sb  Sb21  1  0.756  0.244  0.395  1.0
  Sb  Sb22  1  0.007  0.993  0.480  1.0
  Sb  Sb23  1  0.993  0.007  0.980  1.0
  O  O24  1  0.063  0.937  0.344  1.0
  O  O25  1  0.937  0.063  0.844  1.0
  O  O26  1  0.946  0.054  0.614  1.0
  O  O27  1  0.054  0.946  0.114  1.0
  O  O28  1  0.822  0.178  0.263  1.0
  O  O29  1  0.178  0.822  0.763  1.0
  O  O30  1  0.694  0.306  0.531  1.0
  O  O31  1  0.306  0.694  0.031  1.0
  O  O32  1  0.249  0.018  0.513  1.0
  O  O33  1  0.751  0.982  0.013  1.0
  O  O34  1  0.982  0.751  0.513  1.0
  O  O35  1  0.018  0.249  0.013  1.0
  O  O36  1  0.485  0.779  0.861  1.0
  O  O37  1  0.515  0.221  0.361  1.0
  O  O38  1  0.221  0.515  0.861  1.0
  O  O39  1  0.779  0.485  0.361  1.0
  O  O40  1  0.242  0.999  0.941  1.0
  O  O41  1  0.758  0.001  0.441  1.0
  O  O42  1  0.001  0.758  0.941  1.0
  O  O43  1  0.999  0.242  0.441  1.0
[/CIF]
.