The crystal structure described by Lu3(CuSi)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to two equivalent Si(1) and four equivalent Si(2) atoms to form distorted edge-sharing LuSi6 octahedra. In the second Lu site, Lu(2) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Si(1), and four equivalent Si(2) atoms. Cu(1) is bonded in a 8-coordinate geometry to three equivalent Lu(2), one Cu(1), one Si(2), and three equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Lu(1), two equivalent Lu(2), and six equivalent Cu(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Lu(1), four equivalent Lu(2), two equivalent Cu(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Lu3(CuSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.072
_cell_length_b   6.465
_cell_length_c   7.734
_cell_angle_alpha   114.706
_cell_angle_beta   105.264
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   177.062
_cell_formula_units_Z   1
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  0.500  0.000  1.0
  Lu  Lu1  1  0.872  0.872  0.745  1.0
  Lu  Lu2  1  0.128  0.128  0.255  1.0
  Cu  Cu3  1  0.670  0.861  0.340  1.0
  Cu  Cu4  1  0.670  0.478  0.340  1.0
  Cu  Cu5  1  0.330  0.522  0.660  1.0
  Cu  Cu6  1  0.330  0.139  0.660  1.0
  Si  Si7  1  0.783  0.283  0.566  1.0
  Si  Si8  1  0.217  0.717  0.434  1.0
  Si  Si9  1  0.500  0.186  0.000  1.0
  Si  Si10  1  0.500  0.814  0.000  1.0
[/CIF]
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The crystal structure described by Lu3(CuSi)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to two equivalent Si(1) and four equivalent Si(2) atoms to form distorted edge-sharing LuSi6 octahedra. In the second Lu site, Lu(2) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Si(1), and four equivalent Si(2) atoms. Cu(1) is bonded in a 8-coordinate geometry to three equivalent Lu(2), one Cu(1), one Si(2), and three equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Lu(1), two equivalent Lu(2), and six equivalent Cu(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Lu(1), four equivalent Lu(2), two equivalent Cu(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Lu3(CuSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.072
_cell_length_b   6.465
_cell_length_c   7.734
_cell_angle_alpha   114.706
_cell_angle_beta   105.264
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   177.062
_cell_formula_units_Z   1
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  0.500  0.000  1.0
  Lu  Lu1  1  0.872  0.872  0.745  1.0
  Lu  Lu2  1  0.128  0.128  0.255  1.0
  Cu  Cu3  1  0.670  0.861  0.340  1.0
  Cu  Cu4  1  0.670  0.478  0.340  1.0
  Cu  Cu5  1  0.330  0.522  0.660  1.0
  Cu  Cu6  1  0.330  0.139  0.660  1.0
  Si  Si7  1  0.783  0.283  0.566  1.0
  Si  Si8  1  0.217  0.717  0.434  1.0
  Si  Si9  1  0.500  0.186  0.000  1.0
  Si  Si10  1  0.500  0.814  0.000  1.0
[/CIF]
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