The compound described by Y3Cu11Si4 crystallizes in the hexagonal P6_3/mmc space group. Y(1) is bonded in a 15-coordinate geometry to two equivalent Cu(2), two equivalent Cu(3), six equivalent Cu(1), one Si(2), and four equivalent Si(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to three equivalent Y(1), one Cu(3), two equivalent Cu(2), three equivalent Cu(1), one Si(2), and two equivalent Si(1) atoms. In the second Cu site, Cu(2) is bonded to two equivalent Y(1), two equivalent Cu(2), two equivalent Cu(3), four equivalent Cu(1), and two equivalent Si(1) atoms to form distorted CuY2Cu8Si2 cuboctahedra that share corners with four equivalent Cu(2)Y2Cu8Si2 cuboctahedra, corners with four equivalent Si(1)Y4Cu8 cuboctahedra, faces with two equivalent Cu(2)Y2Cu8Si2 cuboctahedra, and faces with six equivalent Si(1)Y4Cu8 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 12-coordinate geometry to three equivalent Y(1), three equivalent Cu(1), three equivalent Cu(2), and three equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Cu(1) atoms. In the second Si site, Si(1) is bonded to four equivalent Y(1), two equivalent Cu(2), two equivalent Cu(3), and four equivalent Cu(1) atoms to form SiY4Cu8 cuboctahedra that share corners with four equivalent Cu(2)Y2Cu8Si2 cuboctahedra, corners with four equivalent Si(1)Y4Cu8 cuboctahedra, faces with six equivalent Cu(2)Y2Cu8Si2 cuboctahedra, and faces with six equivalent Si(1)Y4Cu8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3Cu11Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.438
_cell_length_b   8.438
_cell_length_c   8.609
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   530.824
_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
  Y  Y0  1  0.801  0.199  0.750  1.0
  Y  Y1  1  0.199  0.801  0.250  1.0
  Y  Y2  1  0.398  0.199  0.750  1.0
  Y  Y3  1  0.602  0.801  0.250  1.0
  Y  Y4  1  0.801  0.602  0.750  1.0
  Y  Y5  1  0.199  0.398  0.250  1.0
  Cu  Cu6  1  0.851  0.149  0.408  1.0
  Cu  Cu7  1  0.149  0.851  0.592  1.0
  Cu  Cu8  1  0.299  0.149  0.408  1.0
  Cu  Cu9  1  0.149  0.851  0.908  1.0
  Cu  Cu10  1  0.701  0.851  0.592  1.0
  Cu  Cu11  1  0.851  0.149  0.092  1.0
  Cu  Cu12  1  0.851  0.701  0.408  1.0
  Cu  Cu13  1  0.701  0.851  0.908  1.0
  Cu  Cu14  1  0.149  0.299  0.592  1.0
  Cu  Cu15  1  0.299  0.149  0.092  1.0
  Cu  Cu16  1  0.149  0.299  0.908  1.0
  Cu  Cu17  1  0.851  0.701  0.092  1.0
  Cu  Cu18  1  0.435  0.565  0.750  1.0
  Cu  Cu19  1  0.565  0.435  0.250  1.0
  Cu  Cu20  1  0.130  0.565  0.750  1.0
  Cu  Cu21  1  0.870  0.435  0.250  1.0
  Cu  Cu22  1  0.435  0.870  0.750  1.0
  Cu  Cu23  1  0.565  0.130  0.250  1.0
  Cu  Cu24  1  0.667  0.333  0.013  1.0
  Cu  Cu25  1  0.333  0.667  0.987  1.0
  Cu  Cu26  1  0.333  0.667  0.513  1.0
  Cu  Cu27  1  0.667  0.333  0.487  1.0
  Si  Si28  1  0.500  0.500  0.000  1.0
  Si  Si29  1  0.000  0.500  0.000  1.0
  Si  Si30  1  0.500  0.500  0.500  1.0
  Si  Si31  1  0.500  0.000  0.000  1.0
  Si  Si32  1  0.000  0.500  0.500  1.0
  Si  Si33  1  0.500  0.000  0.500  1.0
  Si  Si34  1  0.000  0.000  0.750  1.0
  Si  Si35  1  0.000  0.000  0.250  1.0
[/CIF]
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The compound described by Y3Cu11Si4 crystallizes in the hexagonal P6_3/mmc space group. Y(1) is bonded in a 15-coordinate geometry to two equivalent Cu(2), two equivalent Cu(3), six equivalent Cu(1), one Si(2), and four equivalent Si(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to three equivalent Y(1), one Cu(3), two equivalent Cu(2), three equivalent Cu(1), one Si(2), and two equivalent Si(1) atoms. In the second Cu site, Cu(2) is bonded to two equivalent Y(1), two equivalent Cu(2), two equivalent Cu(3), four equivalent Cu(1), and two equivalent Si(1) atoms to form distorted CuY2Cu8Si2 cuboctahedra that share corners with four equivalent Cu(2)Y2Cu8Si2 cuboctahedra, corners with four equivalent Si(1)Y4Cu8 cuboctahedra, faces with two equivalent Cu(2)Y2Cu8Si2 cuboctahedra, and faces with six equivalent Si(1)Y4Cu8 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 12-coordinate geometry to three equivalent Y(1), three equivalent Cu(1), three equivalent Cu(2), and three equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Cu(1) atoms. In the second Si site, Si(1) is bonded to four equivalent Y(1), two equivalent Cu(2), two equivalent Cu(3), and four equivalent Cu(1) atoms to form SiY4Cu8 cuboctahedra that share corners with four equivalent Cu(2)Y2Cu8Si2 cuboctahedra, corners with four equivalent Si(1)Y4Cu8 cuboctahedra, faces with six equivalent Cu(2)Y2Cu8Si2 cuboctahedra, and faces with six equivalent Si(1)Y4Cu8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3Cu11Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.438
_cell_length_b   8.438
_cell_length_c   8.609
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   530.824
_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
  Y  Y0  1  0.801  0.199  0.750  1.0
  Y  Y1  1  0.199  0.801  0.250  1.0
  Y  Y2  1  0.398  0.199  0.750  1.0
  Y  Y3  1  0.602  0.801  0.250  1.0
  Y  Y4  1  0.801  0.602  0.750  1.0
  Y  Y5  1  0.199  0.398  0.250  1.0
  Cu  Cu6  1  0.851  0.149  0.408  1.0
  Cu  Cu7  1  0.149  0.851  0.592  1.0
  Cu  Cu8  1  0.299  0.149  0.408  1.0
  Cu  Cu9  1  0.149  0.851  0.908  1.0
  Cu  Cu10  1  0.701  0.851  0.592  1.0
  Cu  Cu11  1  0.851  0.149  0.092  1.0
  Cu  Cu12  1  0.851  0.701  0.408  1.0
  Cu  Cu13  1  0.701  0.851  0.908  1.0
  Cu  Cu14  1  0.149  0.299  0.592  1.0
  Cu  Cu15  1  0.299  0.149  0.092  1.0
  Cu  Cu16  1  0.149  0.299  0.908  1.0
  Cu  Cu17  1  0.851  0.701  0.092  1.0
  Cu  Cu18  1  0.435  0.565  0.750  1.0
  Cu  Cu19  1  0.565  0.435  0.250  1.0
  Cu  Cu20  1  0.130  0.565  0.750  1.0
  Cu  Cu21  1  0.870  0.435  0.250  1.0
  Cu  Cu22  1  0.435  0.870  0.750  1.0
  Cu  Cu23  1  0.565  0.130  0.250  1.0
  Cu  Cu24  1  0.667  0.333  0.013  1.0
  Cu  Cu25  1  0.333  0.667  0.987  1.0
  Cu  Cu26  1  0.333  0.667  0.513  1.0
  Cu  Cu27  1  0.667  0.333  0.487  1.0
  Si  Si28  1  0.500  0.500  0.000  1.0
  Si  Si29  1  0.000  0.500  0.000  1.0
  Si  Si30  1  0.500  0.500  0.500  1.0
  Si  Si31  1  0.500  0.000  0.000  1.0
  Si  Si32  1  0.000  0.500  0.500  1.0
  Si  Si33  1  0.500  0.000  0.500  1.0
  Si  Si34  1  0.000  0.000  0.750  1.0
  Si  Si35  1  0.000  0.000  0.250  1.0
[/CIF]
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