The material structure described by Lu2Se3 crystallizes in the tetragonal I-42d space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), three equivalent Se(2), and three equivalent Se(3) atoms. In the second Lu site, Lu(2) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(3), and four equivalent Se(2) atoms. In the third Lu site, Lu(3) is bonded in a 8-coordinate geometry to two equivalent Se(2), two equivalent Se(3), and four equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Lu(2), two equivalent Lu(1), and two equivalent Lu(3) atoms to form distorted SeLu5 square pyramids that share corners with five equivalent Se(2)Lu6 octahedra, corners with four equivalent Se(1)Lu5 square pyramids, corners with four equivalent Se(3)Lu5 square pyramids, edges with three equivalent Se(2)Lu6 octahedra,  an edgeedge with one Se(1)Lu5 square pyramid, edges with four equivalent Se(3)Lu5 square pyramids,  a faceface with one Se(2)Lu6 octahedra, and  a faceface with one Se(1)Lu5 square pyramid. The corner-sharing octahedral tilt angles range from 24-48°. In the second Se site, Se(2) is bonded to one Lu(3), two equivalent Lu(2), and three equivalent Lu(1) atoms to form distorted SeLu6 octahedra that share corners with three equivalent Se(2)Lu6 octahedra, corners with five equivalent Se(1)Lu5 square pyramids, corners with seven equivalent Se(3)Lu5 square pyramids, edges with two equivalent Se(2)Lu6 octahedra,  an edgeedge with one Se(3)Lu5 square pyramid, edges with three equivalent Se(1)Lu5 square pyramids, faces with two equivalent Se(2)Lu6 octahedra,  a faceface with one Se(1)Lu5 square pyramid, and faces with two equivalent Se(3)Lu5 square pyramids. The corner-sharing octahedral tilt angles range from 18-50°. In the third Se site, Se(3) is bonded to one Lu(2), one Lu(3), and three equivalent Lu(1) atoms to form distorted SeLu5 square pyramids that share corners with seven equivalent Se(2)Lu6 octahedra, corners with four equivalent Se(1)Lu5 square pyramids, corners with five equivalent Se(3)Lu5 square pyramids,  an edgeedge with one Se(2)Lu6 octahedra, edges with four equivalent Se(1)Lu5 square pyramids, faces with two equivalent Se(2)Lu6 octahedra, and  a faceface with one Se(3)Lu5 square pyramid. The corner-sharing octahedral tilt angles range from 16-53°. is represented by the CIF card [CIF]
data_Lu2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.209
_cell_length_b   14.209
_cell_length_c   14.209
_cell_angle_alpha   144.866
_cell_angle_beta   144.866
_cell_angle_gamma   50.534
_symmetry_Int_Tables_number   1
_cell_volume   945.244
_cell_formula_units_Z   8
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  0.173  0.300  0.393  1.0
  Lu  Lu1  1  0.582  0.082  0.500  1.0
  Lu  Lu2  1  0.375  0.741  0.866  1.0
  Lu  Lu3  1  0.168  0.168  0.000  1.0
  Lu  Lu4  1  0.843  0.950  0.373  1.0
  Lu  Lu5  1  0.577  0.470  0.627  1.0
  Lu  Lu6  1  0.875  0.509  0.134  1.0
  Lu  Lu7  1  0.050  0.423  0.893  1.0
  Lu  Lu8  1  0.832  0.832  0.000  1.0
  Lu  Lu9  1  0.491  0.625  0.366  1.0
  Lu  Lu10  1  0.259  0.125  0.634  1.0
  Lu  Lu11  1  0.530  0.157  0.107  1.0
  Lu  Lu12  1  0.918  0.418  0.500  1.0
  Lu  Lu13  1  0.700  0.093  0.873  1.0
  Lu  Lu14  1  0.907  0.780  0.607  1.0
  Lu  Lu15  1  0.220  0.827  0.127  1.0
  Se  Se16  1  0.537  0.420  0.748  1.0
  Se  Se17  1  0.246  0.001  0.117  1.0
  Se  Se18  1  0.884  0.129  0.883  1.0
  Se  Se19  1  0.504  0.121  0.255  1.0
  Se  Se20  1  0.866  0.249  0.745  1.0
  Se  Se21  1  0.213  0.461  0.383  1.0
  Se  Se22  1  0.672  0.789  0.252  1.0
  Se  Se23  1  0.078  0.830  0.617  1.0
  Se  Se24  1  0.189  0.091  0.744  1.0
  Se  Se25  1  0.909  0.652  0.097  1.0
  Se  Se26  1  0.555  0.811  0.903  1.0
  Se  Se27  1  0.170  0.787  0.248  1.0
  Se  Se28  1  0.539  0.922  0.752  1.0
  Se  Se29  1  0.348  0.445  0.256  1.0
  Se  Se30  1  0.879  0.134  0.383  1.0
  Se  Se31  1  0.751  0.496  0.617  1.0
  Se  Se32  1  0.871  0.754  0.755  1.0
  Se  Se33  1  0.580  0.328  0.117  1.0
  Se  Se34  1  0.211  0.463  0.883  1.0
  Se  Se35  1  0.841  0.439  0.244  1.0
  Se  Se36  1  0.195  0.598  0.756  1.0
  Se  Se37  1  0.999  0.116  0.245  1.0
  Se  Se38  1  0.561  0.805  0.403  1.0
  Se  Se39  1  0.402  0.159  0.597  1.0
[/CIF]
.
The material structure described by Lu2Se3 crystallizes in the tetragonal I-42d space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), three equivalent Se(2), and three equivalent Se(3) atoms. In the second Lu site, Lu(2) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(3), and four equivalent Se(2) atoms. In the third Lu site, Lu(3) is bonded in a 8-coordinate geometry to two equivalent Se(2), two equivalent Se(3), and four equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Lu(2), two equivalent Lu(1), and two equivalent Lu(3) atoms to form distorted SeLu5 square pyramids that share corners with five equivalent Se(2)Lu6 octahedra, corners with four equivalent Se(1)Lu5 square pyramids, corners with four equivalent Se(3)Lu5 square pyramids, edges with three equivalent Se(2)Lu6 octahedra,  an edgeedge with one Se(1)Lu5 square pyramid, edges with four equivalent Se(3)Lu5 square pyramids,  a faceface with one Se(2)Lu6 octahedra, and  a faceface with one Se(1)Lu5 square pyramid. The corner-sharing octahedral tilt angles range from 24-48°. In the second Se site, Se(2) is bonded to one Lu(3), two equivalent Lu(2), and three equivalent Lu(1) atoms to form distorted SeLu6 octahedra that share corners with three equivalent Se(2)Lu6 octahedra, corners with five equivalent Se(1)Lu5 square pyramids, corners with seven equivalent Se(3)Lu5 square pyramids, edges with two equivalent Se(2)Lu6 octahedra,  an edgeedge with one Se(3)Lu5 square pyramid, edges with three equivalent Se(1)Lu5 square pyramids, faces with two equivalent Se(2)Lu6 octahedra,  a faceface with one Se(1)Lu5 square pyramid, and faces with two equivalent Se(3)Lu5 square pyramids. The corner-sharing octahedral tilt angles range from 18-50°. In the third Se site, Se(3) is bonded to one Lu(2), one Lu(3), and three equivalent Lu(1) atoms to form distorted SeLu5 square pyramids that share corners with seven equivalent Se(2)Lu6 octahedra, corners with four equivalent Se(1)Lu5 square pyramids, corners with five equivalent Se(3)Lu5 square pyramids,  an edgeedge with one Se(2)Lu6 octahedra, edges with four equivalent Se(1)Lu5 square pyramids, faces with two equivalent Se(2)Lu6 octahedra, and  a faceface with one Se(3)Lu5 square pyramid. The corner-sharing octahedral tilt angles range from 16-53°. is represented by the CIF card [CIF]
data_Lu2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.209
_cell_length_b   14.209
_cell_length_c   14.209
_cell_angle_alpha   144.866
_cell_angle_beta   144.866
_cell_angle_gamma   50.534
_symmetry_Int_Tables_number   1
_cell_volume   945.244
_cell_formula_units_Z   8
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  0.173  0.300  0.393  1.0
  Lu  Lu1  1  0.582  0.082  0.500  1.0
  Lu  Lu2  1  0.375  0.741  0.866  1.0
  Lu  Lu3  1  0.168  0.168  0.000  1.0
  Lu  Lu4  1  0.843  0.950  0.373  1.0
  Lu  Lu5  1  0.577  0.470  0.627  1.0
  Lu  Lu6  1  0.875  0.509  0.134  1.0
  Lu  Lu7  1  0.050  0.423  0.893  1.0
  Lu  Lu8  1  0.832  0.832  0.000  1.0
  Lu  Lu9  1  0.491  0.625  0.366  1.0
  Lu  Lu10  1  0.259  0.125  0.634  1.0
  Lu  Lu11  1  0.530  0.157  0.107  1.0
  Lu  Lu12  1  0.918  0.418  0.500  1.0
  Lu  Lu13  1  0.700  0.093  0.873  1.0
  Lu  Lu14  1  0.907  0.780  0.607  1.0
  Lu  Lu15  1  0.220  0.827  0.127  1.0
  Se  Se16  1  0.537  0.420  0.748  1.0
  Se  Se17  1  0.246  0.001  0.117  1.0
  Se  Se18  1  0.884  0.129  0.883  1.0
  Se  Se19  1  0.504  0.121  0.255  1.0
  Se  Se20  1  0.866  0.249  0.745  1.0
  Se  Se21  1  0.213  0.461  0.383  1.0
  Se  Se22  1  0.672  0.789  0.252  1.0
  Se  Se23  1  0.078  0.830  0.617  1.0
  Se  Se24  1  0.189  0.091  0.744  1.0
  Se  Se25  1  0.909  0.652  0.097  1.0
  Se  Se26  1  0.555  0.811  0.903  1.0
  Se  Se27  1  0.170  0.787  0.248  1.0
  Se  Se28  1  0.539  0.922  0.752  1.0
  Se  Se29  1  0.348  0.445  0.256  1.0
  Se  Se30  1  0.879  0.134  0.383  1.0
  Se  Se31  1  0.751  0.496  0.617  1.0
  Se  Se32  1  0.871  0.754  0.755  1.0
  Se  Se33  1  0.580  0.328  0.117  1.0
  Se  Se34  1  0.211  0.463  0.883  1.0
  Se  Se35  1  0.841  0.439  0.244  1.0
  Se  Se36  1  0.195  0.598  0.756  1.0
  Se  Se37  1  0.999  0.116  0.245  1.0
  Se  Se38  1  0.561  0.805  0.403  1.0
  Se  Se39  1  0.402  0.159  0.597  1.0
[/CIF]
.