The material described by Lu5Tl3 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 6-coordinate geometry to two equivalent Tl(1) and four equivalent Tl(2) atoms. In the second Lu site, Lu(2) is bonded in a 5-coordinate geometry to two equivalent Tl(2) and three equivalent Tl(1) atoms. In the third Lu site, Lu(3) is bonded in a 5-coordinate geometry to one Tl(1) and four equivalent Tl(2) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 9-coordinate geometry to two equivalent Lu(3), three equivalent Lu(2), and four equivalent Lu(1) atoms. In the second Tl site, Tl(2) is bonded in a 9-coordinate geometry to one Lu(2), four equivalent Lu(1), and four equivalent Lu(3) atoms. is represented by the CIF card [CIF]
data_Lu5Tl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.547
_cell_length_b   8.812
_cell_length_c   8.832
_cell_angle_alpha   119.927
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   441.637
_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
  Lu  Lu0  1  0.500  0.333  0.666  1.0
  Lu  Lu1  1  0.500  0.667  0.334  1.0
  Lu  Lu2  1  0.000  0.667  0.334  1.0
  Lu  Lu3  1  0.000  0.333  0.666  1.0
  Lu  Lu4  1  0.750  0.248  0.000  1.0
  Lu  Lu5  1  0.750  0.752  0.752  1.0
  Lu  Lu6  1  0.750  0.000  0.248  1.0
  Lu  Lu7  1  0.250  0.752  0.000  1.0
  Lu  Lu8  1  0.250  0.248  0.248  1.0
  Lu  Lu9  1  0.250  1.000  0.752  1.0
  Tl  Tl10  1  0.750  0.608  0.000  1.0
  Tl  Tl11  1  0.750  0.392  0.392  1.0
  Tl  Tl12  1  0.750  1.000  0.608  1.0
  Tl  Tl13  1  0.250  0.392  0.000  1.0
  Tl  Tl14  1  0.250  0.608  0.608  1.0
  Tl  Tl15  1  0.250  0.000  0.392  1.0
[/CIF]
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The material described by Lu5Tl3 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 6-coordinate geometry to two equivalent Tl(1) and four equivalent Tl(2) atoms. In the second Lu site, Lu(2) is bonded in a 5-coordinate geometry to two equivalent Tl(2) and three equivalent Tl(1) atoms. In the third Lu site, Lu(3) is bonded in a 5-coordinate geometry to one Tl(1) and four equivalent Tl(2) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 9-coordinate geometry to two equivalent Lu(3), three equivalent Lu(2), and four equivalent Lu(1) atoms. In the second Tl site, Tl(2) is bonded in a 9-coordinate geometry to one Lu(2), four equivalent Lu(1), and four equivalent Lu(3) atoms. is represented by the CIF card [CIF]
data_Lu5Tl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.547
_cell_length_b   8.812
_cell_length_c   8.832
_cell_angle_alpha   119.927
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   441.637
_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
  Lu  Lu0  1  0.500  0.333  0.666  1.0
  Lu  Lu1  1  0.500  0.667  0.334  1.0
  Lu  Lu2  1  0.000  0.667  0.334  1.0
  Lu  Lu3  1  0.000  0.333  0.666  1.0
  Lu  Lu4  1  0.750  0.248  0.000  1.0
  Lu  Lu5  1  0.750  0.752  0.752  1.0
  Lu  Lu6  1  0.750  0.000  0.248  1.0
  Lu  Lu7  1  0.250  0.752  0.000  1.0
  Lu  Lu8  1  0.250  0.248  0.248  1.0
  Lu  Lu9  1  0.250  1.000  0.752  1.0
  Tl  Tl10  1  0.750  0.608  0.000  1.0
  Tl  Tl11  1  0.750  0.392  0.392  1.0
  Tl  Tl12  1  0.750  1.000  0.608  1.0
  Tl  Tl13  1  0.250  0.392  0.000  1.0
  Tl  Tl14  1  0.250  0.608  0.608  1.0
  Tl  Tl15  1  0.250  0.000  0.392  1.0
[/CIF]
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