The compound described by Y3(CuSi)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Y sites. In the first Y site, Y(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 Y site, Y(2) is bonded to two equivalent Si(1) and four equivalent Si(2) atoms to form distorted edge-sharing YSi6 octahedra. Cu(1) is bonded in a 8-coordinate geometry to three equivalent Y(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 Y(2), two equivalent Y(1), and six equivalent Cu(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Y(2), four equivalent Y(1), two equivalent Cu(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Y3(CuSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.873
_cell_length_b   7.873
_cell_length_c   7.873
_cell_angle_alpha   149.470
_cell_angle_beta   130.843
_cell_angle_gamma   58.979
_symmetry_Int_Tables_number   1
_cell_volume   186.050
_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
  Y  Y0  1  0.371  0.871  0.500  1.0
  Y  Y1  1  0.629  0.129  0.500  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.641  0.331  0.310  1.0
  Cu  Cu4  1  0.359  0.669  0.690  1.0
  Cu  Cu5  1  0.021  0.331  0.690  1.0
  Cu  Cu6  1  0.979  0.669  0.310  1.0
  Si  Si7  1  0.216  0.216  0.000  1.0
  Si  Si8  1  0.784  0.784  0.000  1.0
  Si  Si9  1  0.684  0.500  0.184  1.0
  Si  Si10  1  0.316  0.500  0.816  1.0
[/CIF]
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The compound described by Y3(CuSi)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Y sites. In the first Y site, Y(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 Y site, Y(2) is bonded to two equivalent Si(1) and four equivalent Si(2) atoms to form distorted edge-sharing YSi6 octahedra. Cu(1) is bonded in a 8-coordinate geometry to three equivalent Y(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 Y(2), two equivalent Y(1), and six equivalent Cu(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Y(2), four equivalent Y(1), two equivalent Cu(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Y3(CuSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.873
_cell_length_b   7.873
_cell_length_c   7.873
_cell_angle_alpha   149.470
_cell_angle_beta   130.843
_cell_angle_gamma   58.979
_symmetry_Int_Tables_number   1
_cell_volume   186.050
_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
  Y  Y0  1  0.371  0.871  0.500  1.0
  Y  Y1  1  0.629  0.129  0.500  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.641  0.331  0.310  1.0
  Cu  Cu4  1  0.359  0.669  0.690  1.0
  Cu  Cu5  1  0.021  0.331  0.690  1.0
  Cu  Cu6  1  0.979  0.669  0.310  1.0
  Si  Si7  1  0.216  0.216  0.000  1.0
  Si  Si8  1  0.784  0.784  0.000  1.0
  Si  Si9  1  0.684  0.500  0.184  1.0
  Si  Si10  1  0.316  0.500  0.816  1.0
[/CIF]
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