The material described by Lu6CuTe2 crystallizes in the orthorhombic Pnma space group. There are six inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 4-coordinate geometry to two equivalent Te(1) and two equivalent Te(2) atoms. In the second Lu site, Lu(2) is bonded in a 5-coordinate geometry to three equivalent Cu(1) and two equivalent Te(1) atoms. In the third Lu site, Lu(3) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one Te(2) atom. In the fourth Lu site, Lu(4) is bonded in a 4-coordinate geometry to one Cu(1), one Te(1), and three equivalent Te(2) atoms. In the fifth Lu site, Lu(5) is bonded to two equivalent Cu(1), one Te(1), and two equivalent Te(2) atoms to form distorted edge-sharing LuCu2Te3 trigonal bipyramids. In the sixth Lu site, Lu(6) is bonded in a 1-coordinate geometry to one Cu(1) and one Te(1) atom. Cu(1) is bonded in a 9-coordinate geometry to one Lu(4), one Lu(6), two equivalent Lu(3), two equivalent Lu(5), and three equivalent Lu(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 7-coordinate geometry to one Lu(4), one Lu(5), one Lu(6), two equivalent Lu(1), and two equivalent Lu(2) atoms. In the second Te site, Te(2) is bonded in a 8-coordinate geometry to one Lu(3), two equivalent Lu(1), two equivalent Lu(5), and three equivalent Lu(4) atoms. is represented by the CIF file [CIF]
data_Lu6CuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.944
_cell_length_b   11.317
_cell_length_c   21.145
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   943.816
_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
  Lu  Lu0  1  0.750  0.940  0.641  1.0
  Lu  Lu1  1  0.250  0.380  0.476  1.0
  Lu  Lu2  1  0.250  0.120  0.976  1.0
  Lu  Lu3  1  0.250  0.309  0.109  1.0
  Lu  Lu4  1  0.750  0.237  0.232  1.0
  Lu  Lu5  1  0.250  0.763  0.768  1.0
  Lu  Lu6  1  0.750  0.691  0.891  1.0
  Lu  Lu7  1  0.250  0.030  0.155  1.0
  Lu  Lu8  1  0.750  0.112  0.494  1.0
  Lu  Lu9  1  0.250  0.470  0.655  1.0
  Lu  Lu10  1  0.750  0.880  0.024  1.0
  Lu  Lu11  1  0.750  0.560  0.141  1.0
  Lu  Lu12  1  0.750  0.809  0.391  1.0
  Lu  Lu13  1  0.750  0.620  0.524  1.0
  Lu  Lu14  1  0.250  0.440  0.859  1.0
  Lu  Lu15  1  0.250  0.060  0.359  1.0
  Lu  Lu16  1  0.250  0.191  0.609  1.0
  Lu  Lu17  1  0.250  0.737  0.268  1.0
  Lu  Lu18  1  0.750  0.388  0.994  1.0
  Lu  Lu19  1  0.750  0.530  0.345  1.0
  Lu  Lu20  1  0.250  0.612  0.006  1.0
  Lu  Lu21  1  0.750  0.263  0.732  1.0
  Lu  Lu22  1  0.750  0.970  0.845  1.0
  Lu  Lu23  1  0.250  0.888  0.506  1.0
  Cu  Cu24  1  0.750  0.136  0.077  1.0
  Cu  Cu25  1  0.250  0.636  0.423  1.0
  Cu  Cu26  1  0.250  0.864  0.923  1.0
  Cu  Cu27  1  0.750  0.364  0.577  1.0
  Te  Te28  1  0.250  0.733  0.626  1.0
  Te  Te29  1  0.750  0.267  0.374  1.0
  Te  Te30  1  0.250  0.046  0.739  1.0
  Te  Te31  1  0.250  0.454  0.239  1.0
  Te  Te32  1  0.750  0.233  0.874  1.0
  Te  Te33  1  0.750  0.546  0.761  1.0
  Te  Te34  1  0.250  0.767  0.126  1.0
  Te  Te35  1  0.750  0.954  0.261  1.0
[/CIF]
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The material described by Lu6CuTe2 crystallizes in the orthorhombic Pnma space group. There are six inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 4-coordinate geometry to two equivalent Te(1) and two equivalent Te(2) atoms. In the second Lu site, Lu(2) is bonded in a 5-coordinate geometry to three equivalent Cu(1) and two equivalent Te(1) atoms. In the third Lu site, Lu(3) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one Te(2) atom. In the fourth Lu site, Lu(4) is bonded in a 4-coordinate geometry to one Cu(1), one Te(1), and three equivalent Te(2) atoms. In the fifth Lu site, Lu(5) is bonded to two equivalent Cu(1), one Te(1), and two equivalent Te(2) atoms to form distorted edge-sharing LuCu2Te3 trigonal bipyramids. In the sixth Lu site, Lu(6) is bonded in a 1-coordinate geometry to one Cu(1) and one Te(1) atom. Cu(1) is bonded in a 9-coordinate geometry to one Lu(4), one Lu(6), two equivalent Lu(3), two equivalent Lu(5), and three equivalent Lu(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 7-coordinate geometry to one Lu(4), one Lu(5), one Lu(6), two equivalent Lu(1), and two equivalent Lu(2) atoms. In the second Te site, Te(2) is bonded in a 8-coordinate geometry to one Lu(3), two equivalent Lu(1), two equivalent Lu(5), and three equivalent Lu(4) atoms. is represented by the CIF file [CIF]
data_Lu6CuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.944
_cell_length_b   11.317
_cell_length_c   21.145
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   943.816
_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
  Lu  Lu0  1  0.750  0.940  0.641  1.0
  Lu  Lu1  1  0.250  0.380  0.476  1.0
  Lu  Lu2  1  0.250  0.120  0.976  1.0
  Lu  Lu3  1  0.250  0.309  0.109  1.0
  Lu  Lu4  1  0.750  0.237  0.232  1.0
  Lu  Lu5  1  0.250  0.763  0.768  1.0
  Lu  Lu6  1  0.750  0.691  0.891  1.0
  Lu  Lu7  1  0.250  0.030  0.155  1.0
  Lu  Lu8  1  0.750  0.112  0.494  1.0
  Lu  Lu9  1  0.250  0.470  0.655  1.0
  Lu  Lu10  1  0.750  0.880  0.024  1.0
  Lu  Lu11  1  0.750  0.560  0.141  1.0
  Lu  Lu12  1  0.750  0.809  0.391  1.0
  Lu  Lu13  1  0.750  0.620  0.524  1.0
  Lu  Lu14  1  0.250  0.440  0.859  1.0
  Lu  Lu15  1  0.250  0.060  0.359  1.0
  Lu  Lu16  1  0.250  0.191  0.609  1.0
  Lu  Lu17  1  0.250  0.737  0.268  1.0
  Lu  Lu18  1  0.750  0.388  0.994  1.0
  Lu  Lu19  1  0.750  0.530  0.345  1.0
  Lu  Lu20  1  0.250  0.612  0.006  1.0
  Lu  Lu21  1  0.750  0.263  0.732  1.0
  Lu  Lu22  1  0.750  0.970  0.845  1.0
  Lu  Lu23  1  0.250  0.888  0.506  1.0
  Cu  Cu24  1  0.750  0.136  0.077  1.0
  Cu  Cu25  1  0.250  0.636  0.423  1.0
  Cu  Cu26  1  0.250  0.864  0.923  1.0
  Cu  Cu27  1  0.750  0.364  0.577  1.0
  Te  Te28  1  0.250  0.733  0.626  1.0
  Te  Te29  1  0.750  0.267  0.374  1.0
  Te  Te30  1  0.250  0.046  0.739  1.0
  Te  Te31  1  0.250  0.454  0.239  1.0
  Te  Te32  1  0.750  0.233  0.874  1.0
  Te  Te33  1  0.750  0.546  0.761  1.0
  Te  Te34  1  0.250  0.767  0.126  1.0
  Te  Te35  1  0.750  0.954  0.261  1.0
[/CIF]
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