The material structure described by Y5Si4 crystallizes in the monoclinic P2_1/c space group. There are five inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(4), and four equivalent Si(2) atoms. In the second Y site, Y(2) is bonded to one Si(3), two equivalent Si(4), and three equivalent Si(1) atoms to form a mixture of face, corner, and edge-sharing YSi6 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. In the third Y site, Y(3) is bonded in a 6-coordinate geometry to one Si(4), two equivalent Si(3), and three equivalent Si(1) atoms. In the fourth Y site, Y(4) is bonded in a 6-coordinate geometry to one Si(4), two equivalent Si(3), and three equivalent Si(2) atoms. In the fifth Y site, Y(5) is bonded to one Si(1), one Si(2), two equivalent Si(3), and two equivalent Si(4) atoms to form a mixture of distorted face and corner-sharing YSi6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are four inequivalent Si sites. In the first Si site, Si(4) is bonded in a 9-coordinate geometry to one Y(3), one Y(4), two equivalent Y(1), two equivalent Y(2), two equivalent Y(5), and one Si(3) atom. In the second Si site, Si(1) is bonded in a 8-coordinate geometry to one Y(5), three equivalent Y(2), three equivalent Y(3), and one Si(1) atom. In the third Si site, Si(2) is bonded in a 8-coordinate geometry to one Y(5), three equivalent Y(4), and four equivalent Y(1) atoms. In the fourth Si site, Si(3) is bonded in a 9-coordinate geometry to one Y(1), one Y(2), two equivalent Y(3), two equivalent Y(4), two equivalent Y(5), and one Si(4) atom. is represented by the CIF file [CIF]
data_Y5Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.677
_cell_length_b   7.530
_cell_length_c   14.670
_cell_angle_alpha   85.727
_cell_angle_beta   89.999
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   845.697
_cell_formula_units_Z   4
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  0.320  0.508  0.601  1.0
  Y  Y1  1  0.820  0.992  0.399  1.0
  Y  Y2  1  0.680  0.492  0.399  1.0
  Y  Y3  1  0.180  0.008  0.601  1.0
  Y  Y4  1  0.684  0.525  0.101  1.0
  Y  Y5  1  0.184  0.975  0.899  1.0
  Y  Y6  1  0.316  0.475  0.899  1.0
  Y  Y7  1  0.816  0.025  0.101  1.0
  Y  Y8  1  0.178  0.675  0.121  1.0
  Y  Y9  1  0.678  0.825  0.879  1.0
  Y  Y10  1  0.822  0.325  0.879  1.0
  Y  Y11  1  0.322  0.175  0.121  1.0
  Y  Y12  1  0.163  0.641  0.382  1.0
  Y  Y13  1  0.663  0.859  0.618  1.0
  Y  Y14  1  0.837  0.359  0.618  1.0
  Y  Y15  1  0.337  0.141  0.382  1.0
  Y  Y16  1  0.504  0.826  0.254  1.0
  Y  Y17  1  0.004  0.674  0.746  1.0
  Y  Y18  1  0.496  0.174  0.746  1.0
  Y  Y19  1  0.996  0.326  0.254  1.0
  Si  Si20  1  0.474  0.858  0.042  1.0
  Si  Si21  1  0.974  0.642  0.958  1.0
  Si  Si22  1  0.526  0.142  0.958  1.0
  Si  Si23  1  0.026  0.358  0.042  1.0
  Si  Si24  1  0.467  0.790  0.456  1.0
  Si  Si25  1  0.967  0.710  0.544  1.0
  Si  Si26  1  0.533  0.210  0.544  1.0
  Si  Si27  1  0.033  0.290  0.456  1.0
  Si  Si28  1  0.109  0.953  0.248  1.0
  Si  Si29  1  0.609  0.547  0.752  1.0
  Si  Si30  1  0.891  0.047  0.752  1.0
  Si  Si31  1  0.391  0.453  0.248  1.0
  Si  Si32  1  0.371  0.787  0.752  1.0
  Si  Si33  1  0.871  0.713  0.248  1.0
  Si  Si34  1  0.629  0.213  0.248  1.0
  Si  Si35  1  0.129  0.287  0.752  1.0
[/CIF]
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The material structure described by Y5Si4 crystallizes in the monoclinic P2_1/c space group. There are five inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(4), and four equivalent Si(2) atoms. In the second Y site, Y(2) is bonded to one Si(3), two equivalent Si(4), and three equivalent Si(1) atoms to form a mixture of face, corner, and edge-sharing YSi6 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. In the third Y site, Y(3) is bonded in a 6-coordinate geometry to one Si(4), two equivalent Si(3), and three equivalent Si(1) atoms. In the fourth Y site, Y(4) is bonded in a 6-coordinate geometry to one Si(4), two equivalent Si(3), and three equivalent Si(2) atoms. In the fifth Y site, Y(5) is bonded to one Si(1), one Si(2), two equivalent Si(3), and two equivalent Si(4) atoms to form a mixture of distorted face and corner-sharing YSi6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are four inequivalent Si sites. In the first Si site, Si(4) is bonded in a 9-coordinate geometry to one Y(3), one Y(4), two equivalent Y(1), two equivalent Y(2), two equivalent Y(5), and one Si(3) atom. In the second Si site, Si(1) is bonded in a 8-coordinate geometry to one Y(5), three equivalent Y(2), three equivalent Y(3), and one Si(1) atom. In the third Si site, Si(2) is bonded in a 8-coordinate geometry to one Y(5), three equivalent Y(4), and four equivalent Y(1) atoms. In the fourth Si site, Si(3) is bonded in a 9-coordinate geometry to one Y(1), one Y(2), two equivalent Y(3), two equivalent Y(4), two equivalent Y(5), and one Si(4) atom. is represented by the CIF file [CIF]
data_Y5Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.677
_cell_length_b   7.530
_cell_length_c   14.670
_cell_angle_alpha   85.727
_cell_angle_beta   89.999
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   845.697
_cell_formula_units_Z   4
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  0.320  0.508  0.601  1.0
  Y  Y1  1  0.820  0.992  0.399  1.0
  Y  Y2  1  0.680  0.492  0.399  1.0
  Y  Y3  1  0.180  0.008  0.601  1.0
  Y  Y4  1  0.684  0.525  0.101  1.0
  Y  Y5  1  0.184  0.975  0.899  1.0
  Y  Y6  1  0.316  0.475  0.899  1.0
  Y  Y7  1  0.816  0.025  0.101  1.0
  Y  Y8  1  0.178  0.675  0.121  1.0
  Y  Y9  1  0.678  0.825  0.879  1.0
  Y  Y10  1  0.822  0.325  0.879  1.0
  Y  Y11  1  0.322  0.175  0.121  1.0
  Y  Y12  1  0.163  0.641  0.382  1.0
  Y  Y13  1  0.663  0.859  0.618  1.0
  Y  Y14  1  0.837  0.359  0.618  1.0
  Y  Y15  1  0.337  0.141  0.382  1.0
  Y  Y16  1  0.504  0.826  0.254  1.0
  Y  Y17  1  0.004  0.674  0.746  1.0
  Y  Y18  1  0.496  0.174  0.746  1.0
  Y  Y19  1  0.996  0.326  0.254  1.0
  Si  Si20  1  0.474  0.858  0.042  1.0
  Si  Si21  1  0.974  0.642  0.958  1.0
  Si  Si22  1  0.526  0.142  0.958  1.0
  Si  Si23  1  0.026  0.358  0.042  1.0
  Si  Si24  1  0.467  0.790  0.456  1.0
  Si  Si25  1  0.967  0.710  0.544  1.0
  Si  Si26  1  0.533  0.210  0.544  1.0
  Si  Si27  1  0.033  0.290  0.456  1.0
  Si  Si28  1  0.109  0.953  0.248  1.0
  Si  Si29  1  0.609  0.547  0.752  1.0
  Si  Si30  1  0.891  0.047  0.752  1.0
  Si  Si31  1  0.391  0.453  0.248  1.0
  Si  Si32  1  0.371  0.787  0.752  1.0
  Si  Si33  1  0.871  0.713  0.248  1.0
  Si  Si34  1  0.629  0.213  0.248  1.0
  Si  Si35  1  0.129  0.287  0.752  1.0
[/CIF]
.