The compound described by Lu5(AuTe)2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to four equivalent Au(1) and two equivalent Te(1) atoms to form LuTe2Au4 octahedra that share corners with four equivalent Lu(1)Te2Au4 octahedra, corners with twelve equivalent Lu(2)Te3Au3 pentagonal pyramids, and faces with eight equivalent Lu(2)Te3Au3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 49°. In the second Lu site, Lu(2) is bonded to three equivalent Au(1) and three equivalent Te(1) atoms to form distorted LuTe3Au3 pentagonal pyramids that share corners with three equivalent Lu(1)Te2Au4 octahedra, corners with ten equivalent Lu(2)Te3Au3 pentagonal pyramids, edges with seven equivalent Lu(2)Te3Au3 pentagonal pyramids, faces with two equivalent Lu(1)Te2Au4 octahedra, and faces with two equivalent Lu(2)Te3Au3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 35-41°. Au(1) is bonded in a 8-coordinate geometry to two equivalent Lu(1) and six equivalent Lu(2) atoms. Te(1) is bonded in a 7-coordinate geometry to one Lu(1) and six equivalent Lu(2) atoms. is represented by the CIF file [CIF]
data_Lu5(TeAu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.569
_cell_length_b   8.569
_cell_length_c   7.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   125.588
_symmetry_Int_Tables_number   1
_cell_volume   467.424
_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  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.500  0.500  0.500  1.0
  Lu  Lu2  1  0.784  0.540  0.161  1.0
  Lu  Lu3  1  0.460  0.216  0.839  1.0
  Lu  Lu4  1  0.960  0.716  0.661  1.0
  Lu  Lu5  1  0.284  0.040  0.339  1.0
  Lu  Lu6  1  0.216  0.460  0.839  1.0
  Lu  Lu7  1  0.540  0.784  0.161  1.0
  Lu  Lu8  1  0.040  0.284  0.339  1.0
  Lu  Lu9  1  0.716  0.960  0.661  1.0
  Te  Te10  1  0.208  0.792  0.000  1.0
  Te  Te11  1  0.708  0.292  0.500  1.0
  Te  Te12  1  0.792  0.208  0.000  1.0
  Te  Te13  1  0.292  0.708  0.500  1.0
  Au  Au14  1  0.863  0.863  0.365  1.0
  Au  Au15  1  0.137  0.137  0.635  1.0
  Au  Au16  1  0.637  0.637  0.865  1.0
  Au  Au17  1  0.363  0.363  0.135  1.0
[/CIF]
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The compound described by Lu5(AuTe)2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to four equivalent Au(1) and two equivalent Te(1) atoms to form LuTe2Au4 octahedra that share corners with four equivalent Lu(1)Te2Au4 octahedra, corners with twelve equivalent Lu(2)Te3Au3 pentagonal pyramids, and faces with eight equivalent Lu(2)Te3Au3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 49°. In the second Lu site, Lu(2) is bonded to three equivalent Au(1) and three equivalent Te(1) atoms to form distorted LuTe3Au3 pentagonal pyramids that share corners with three equivalent Lu(1)Te2Au4 octahedra, corners with ten equivalent Lu(2)Te3Au3 pentagonal pyramids, edges with seven equivalent Lu(2)Te3Au3 pentagonal pyramids, faces with two equivalent Lu(1)Te2Au4 octahedra, and faces with two equivalent Lu(2)Te3Au3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 35-41°. Au(1) is bonded in a 8-coordinate geometry to two equivalent Lu(1) and six equivalent Lu(2) atoms. Te(1) is bonded in a 7-coordinate geometry to one Lu(1) and six equivalent Lu(2) atoms. is represented by the CIF file [CIF]
data_Lu5(TeAu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.569
_cell_length_b   8.569
_cell_length_c   7.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   125.588
_symmetry_Int_Tables_number   1
_cell_volume   467.424
_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  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.500  0.500  0.500  1.0
  Lu  Lu2  1  0.784  0.540  0.161  1.0
  Lu  Lu3  1  0.460  0.216  0.839  1.0
  Lu  Lu4  1  0.960  0.716  0.661  1.0
  Lu  Lu5  1  0.284  0.040  0.339  1.0
  Lu  Lu6  1  0.216  0.460  0.839  1.0
  Lu  Lu7  1  0.540  0.784  0.161  1.0
  Lu  Lu8  1  0.040  0.284  0.339  1.0
  Lu  Lu9  1  0.716  0.960  0.661  1.0
  Te  Te10  1  0.208  0.792  0.000  1.0
  Te  Te11  1  0.708  0.292  0.500  1.0
  Te  Te12  1  0.792  0.208  0.000  1.0
  Te  Te13  1  0.292  0.708  0.500  1.0
  Au  Au14  1  0.863  0.863  0.365  1.0
  Au  Au15  1  0.137  0.137  0.635  1.0
  Au  Au16  1  0.637  0.637  0.865  1.0
  Au  Au17  1  0.363  0.363  0.135  1.0
[/CIF]
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