The material described by Dy5Si4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms to form distorted corner-sharing DySi6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Dy site, Dy(2) is bonded in a 6-coordinate geometry to one Si(2), two equivalent Si(1), and three equivalent Si(3) atoms. In the third Dy site, Dy(3) is bonded in a 6-coordinate geometry to one Si(1), two equivalent Si(2), and three equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Dy(1), two equivalent Dy(3), four equivalent Dy(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), four equivalent Dy(3), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Dy(1), three equivalent Dy(2), three equivalent Dy(3), and one Si(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy5Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.438
_cell_length_b   7.673
_cell_length_c   14.548
_cell_angle_alpha   90.000
_cell_angle_beta   89.997
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   830.224
_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
  Dy  Dy0  1  0.646  0.989  0.750  1.0
  Dy  Dy1  1  0.146  0.511  0.750  1.0
  Dy  Dy2  1  0.854  0.489  0.250  1.0
  Dy  Dy3  1  0.354  0.011  0.250  1.0
  Dy  Dy4  1  0.970  0.817  0.901  1.0
  Dy  Dy5  1  0.470  0.683  0.599  1.0
  Dy  Dy6  1  0.530  0.317  0.099  1.0
  Dy  Dy7  1  0.030  0.183  0.401  1.0
  Dy  Dy8  1  0.030  0.183  0.099  1.0
  Dy  Dy9  1  0.530  0.317  0.401  1.0
  Dy  Dy10  1  0.470  0.683  0.901  1.0
  Dy  Dy11  1  0.970  0.817  0.599  1.0
  Dy  Dy12  1  0.685  0.820  0.123  1.0
  Dy  Dy13  1  0.185  0.680  0.377  1.0
  Dy  Dy14  1  0.815  0.320  0.877  1.0
  Dy  Dy15  1  0.315  0.180  0.623  1.0
  Dy  Dy16  1  0.315  0.180  0.877  1.0
  Dy  Dy17  1  0.815  0.320  0.623  1.0
  Dy  Dy18  1  0.185  0.680  0.123  1.0
  Dy  Dy19  1  0.685  0.820  0.377  1.0
  Si  Si20  1  0.763  0.627  0.750  1.0
  Si  Si21  1  0.263  0.873  0.750  1.0
  Si  Si22  1  0.737  0.127  0.250  1.0
  Si  Si23  1  0.237  0.373  0.250  1.0
  Si  Si24  1  0.018  0.104  0.750  1.0
  Si  Si25  1  0.518  0.396  0.750  1.0
  Si  Si26  1  0.482  0.604  0.250  1.0
  Si  Si27  1  0.982  0.896  0.250  1.0
  Si  Si28  1  0.857  0.527  0.040  1.0
  Si  Si29  1  0.357  0.973  0.460  1.0
  Si  Si30  1  0.643  0.027  0.960  1.0
  Si  Si31  1  0.143  0.473  0.540  1.0
  Si  Si32  1  0.143  0.473  0.960  1.0
  Si  Si33  1  0.643  0.027  0.540  1.0
  Si  Si34  1  0.357  0.973  0.040  1.0
  Si  Si35  1  0.857  0.527  0.460  1.0
[/CIF]
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The material described by Dy5Si4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms to form distorted corner-sharing DySi6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Dy site, Dy(2) is bonded in a 6-coordinate geometry to one Si(2), two equivalent Si(1), and three equivalent Si(3) atoms. In the third Dy site, Dy(3) is bonded in a 6-coordinate geometry to one Si(1), two equivalent Si(2), and three equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Dy(1), two equivalent Dy(3), four equivalent Dy(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), four equivalent Dy(3), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Dy(1), three equivalent Dy(2), three equivalent Dy(3), and one Si(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy5Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.438
_cell_length_b   7.673
_cell_length_c   14.548
_cell_angle_alpha   90.000
_cell_angle_beta   89.997
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   830.224
_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
  Dy  Dy0  1  0.646  0.989  0.750  1.0
  Dy  Dy1  1  0.146  0.511  0.750  1.0
  Dy  Dy2  1  0.854  0.489  0.250  1.0
  Dy  Dy3  1  0.354  0.011  0.250  1.0
  Dy  Dy4  1  0.970  0.817  0.901  1.0
  Dy  Dy5  1  0.470  0.683  0.599  1.0
  Dy  Dy6  1  0.530  0.317  0.099  1.0
  Dy  Dy7  1  0.030  0.183  0.401  1.0
  Dy  Dy8  1  0.030  0.183  0.099  1.0
  Dy  Dy9  1  0.530  0.317  0.401  1.0
  Dy  Dy10  1  0.470  0.683  0.901  1.0
  Dy  Dy11  1  0.970  0.817  0.599  1.0
  Dy  Dy12  1  0.685  0.820  0.123  1.0
  Dy  Dy13  1  0.185  0.680  0.377  1.0
  Dy  Dy14  1  0.815  0.320  0.877  1.0
  Dy  Dy15  1  0.315  0.180  0.623  1.0
  Dy  Dy16  1  0.315  0.180  0.877  1.0
  Dy  Dy17  1  0.815  0.320  0.623  1.0
  Dy  Dy18  1  0.185  0.680  0.123  1.0
  Dy  Dy19  1  0.685  0.820  0.377  1.0
  Si  Si20  1  0.763  0.627  0.750  1.0
  Si  Si21  1  0.263  0.873  0.750  1.0
  Si  Si22  1  0.737  0.127  0.250  1.0
  Si  Si23  1  0.237  0.373  0.250  1.0
  Si  Si24  1  0.018  0.104  0.750  1.0
  Si  Si25  1  0.518  0.396  0.750  1.0
  Si  Si26  1  0.482  0.604  0.250  1.0
  Si  Si27  1  0.982  0.896  0.250  1.0
  Si  Si28  1  0.857  0.527  0.040  1.0
  Si  Si29  1  0.357  0.973  0.460  1.0
  Si  Si30  1  0.643  0.027  0.960  1.0
  Si  Si31  1  0.143  0.473  0.540  1.0
  Si  Si32  1  0.143  0.473  0.960  1.0
  Si  Si33  1  0.643  0.027  0.540  1.0
  Si  Si34  1  0.357  0.973  0.040  1.0
  Si  Si35  1  0.857  0.527  0.460  1.0
[/CIF]
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