The material structure described by Yb3(CuSi)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Si(1), and four equivalent Si(2) atoms. In the second Yb site, Yb(2) is bonded to eight equivalent Cu(1), two equivalent Si(1), and four equivalent Si(2) atoms to form distorted face-sharing YbCu8Si6 octahedra. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Yb(2), three equivalent Yb(1), 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 Yb(2), two equivalent Yb(1), and six equivalent Cu(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Yb(2), four equivalent Yb(1), two equivalent Cu(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb3(CuSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.815
_cell_length_b   7.815
_cell_length_c   7.815
_cell_angle_alpha   149.092
_cell_angle_beta   130.253
_cell_angle_gamma   59.724
_symmetry_Int_Tables_number   1
_cell_volume   185.549
_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
  Yb  Yb0  1  0.368  0.868  0.500  1.0
  Yb  Yb1  1  0.632  0.132  0.500  1.0
  Yb  Yb2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.639  0.331  0.308  1.0
  Cu  Cu4  1  0.361  0.669  0.692  1.0
  Cu  Cu5  1  0.022  0.331  0.692  1.0
  Cu  Cu6  1  0.978  0.669  0.308  1.0
  Si  Si7  1  0.218  0.218  0.000  1.0
  Si  Si8  1  0.782  0.782  0.000  1.0
  Si  Si9  1  0.678  0.500  0.178  1.0
  Si  Si10  1  0.322  0.500  0.822  1.0
[/CIF]
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The material structure described by Yb3(CuSi)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Si(1), and four equivalent Si(2) atoms. In the second Yb site, Yb(2) is bonded to eight equivalent Cu(1), two equivalent Si(1), and four equivalent Si(2) atoms to form distorted face-sharing YbCu8Si6 octahedra. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Yb(2), three equivalent Yb(1), 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 Yb(2), two equivalent Yb(1), and six equivalent Cu(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Yb(2), four equivalent Yb(1), two equivalent Cu(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb3(CuSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.815
_cell_length_b   7.815
_cell_length_c   7.815
_cell_angle_alpha   149.092
_cell_angle_beta   130.253
_cell_angle_gamma   59.724
_symmetry_Int_Tables_number   1
_cell_volume   185.549
_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
  Yb  Yb0  1  0.368  0.868  0.500  1.0
  Yb  Yb1  1  0.632  0.132  0.500  1.0
  Yb  Yb2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.639  0.331  0.308  1.0
  Cu  Cu4  1  0.361  0.669  0.692  1.0
  Cu  Cu5  1  0.022  0.331  0.692  1.0
  Cu  Cu6  1  0.978  0.669  0.308  1.0
  Si  Si7  1  0.218  0.218  0.000  1.0
  Si  Si8  1  0.782  0.782  0.000  1.0
  Si  Si9  1  0.678  0.500  0.178  1.0
  Si  Si10  1  0.322  0.500  0.822  1.0
[/CIF]
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