The material described by Ho5Tl3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 5-coordinate geometry to two equivalent Tl(2) and three equivalent Tl(1) atoms. In the second Ho site, Ho(2) is bonded to two equivalent Tl(2) and four equivalent Tl(1) atoms to form distorted corner-sharing HoTl6 octahedra. The corner-sharing octahedral tilt angles range from 0-49°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 9-coordinate geometry to two equivalent Ho(2), six equivalent Ho(1), and one Tl(1) atom. In the second Tl site, Tl(2) is bonded in a 10-coordinate geometry to two equivalent Ho(2) and eight equivalent Ho(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho5Tl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.010
_cell_length_b   8.010
_cell_length_c   9.146
_cell_angle_alpha   115.972
_cell_angle_beta   115.972
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   460.724
_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
  Ho  Ho0  1  0.312  0.812  0.303  1.0
  Ho  Ho1  1  0.688  0.188  0.697  1.0
  Ho  Ho2  1  0.991  0.491  0.303  1.0
  Ho  Ho3  1  0.491  0.312  0.303  1.0
  Ho  Ho4  1  0.188  0.009  0.697  1.0
  Ho  Ho5  1  0.009  0.509  0.697  1.0
  Ho  Ho6  1  0.509  0.688  0.697  1.0
  Ho  Ho7  1  0.812  0.991  0.303  1.0
  Ho  Ho8  1  0.000  0.000  0.000  1.0
  Ho  Ho9  1  0.500  0.500  0.000  1.0
  Tl  Tl10  1  0.635  0.135  0.000  1.0
  Tl  Tl11  1  0.365  0.865  0.000  1.0
  Tl  Tl12  1  0.865  0.635  0.000  1.0
  Tl  Tl13  1  0.135  0.365  0.000  1.0
  Tl  Tl14  1  0.250  0.250  0.500  1.0
  Tl  Tl15  1  0.750  0.750  0.500  1.0
[/CIF]
.
The material described by Ho5Tl3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 5-coordinate geometry to two equivalent Tl(2) and three equivalent Tl(1) atoms. In the second Ho site, Ho(2) is bonded to two equivalent Tl(2) and four equivalent Tl(1) atoms to form distorted corner-sharing HoTl6 octahedra. The corner-sharing octahedral tilt angles range from 0-49°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 9-coordinate geometry to two equivalent Ho(2), six equivalent Ho(1), and one Tl(1) atom. In the second Tl site, Tl(2) is bonded in a 10-coordinate geometry to two equivalent Ho(2) and eight equivalent Ho(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho5Tl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.010
_cell_length_b   8.010
_cell_length_c   9.146
_cell_angle_alpha   115.972
_cell_angle_beta   115.972
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   460.724
_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
  Ho  Ho0  1  0.312  0.812  0.303  1.0
  Ho  Ho1  1  0.688  0.188  0.697  1.0
  Ho  Ho2  1  0.991  0.491  0.303  1.0
  Ho  Ho3  1  0.491  0.312  0.303  1.0
  Ho  Ho4  1  0.188  0.009  0.697  1.0
  Ho  Ho5  1  0.009  0.509  0.697  1.0
  Ho  Ho6  1  0.509  0.688  0.697  1.0
  Ho  Ho7  1  0.812  0.991  0.303  1.0
  Ho  Ho8  1  0.000  0.000  0.000  1.0
  Ho  Ho9  1  0.500  0.500  0.000  1.0
  Tl  Tl10  1  0.635  0.135  0.000  1.0
  Tl  Tl11  1  0.365  0.865  0.000  1.0
  Tl  Tl12  1  0.865  0.635  0.000  1.0
  Tl  Tl13  1  0.135  0.365  0.000  1.0
  Tl  Tl14  1  0.250  0.250  0.500  1.0
  Tl  Tl15  1  0.750  0.750  0.500  1.0
[/CIF]
.