The crystal structure described by Dy2Mo3Si4 is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic P2_1/c space group. Dy(1) is bonded in a 7-coordinate geometry to three equivalent Si(2) and four equivalent Si(1) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent Si(1) and four equivalent Si(2) atoms to form distorted corner-sharing MoSi6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to three equivalent Si(1) and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Dy(1), one Mo(1), three equivalent Mo(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Dy(1), two equivalent Mo(1), three equivalent Mo(2), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy2Si4Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.903
_cell_length_b   6.728
_cell_length_c   6.841
_cell_angle_alpha   71.163
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   300.713
_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
  Dy  Dy0  1  0.670  0.438  0.191  1.0
  Dy  Dy1  1  0.170  0.062  0.809  1.0
  Dy  Dy2  1  0.330  0.562  0.809  1.0
  Dy  Dy3  1  0.830  0.938  0.191  1.0
  Si  Si4  1  0.455  0.131  0.090  1.0
  Si  Si5  1  0.955  0.369  0.910  1.0
  Si  Si6  1  0.545  0.869  0.910  1.0
  Si  Si7  1  0.045  0.631  0.090  1.0
  Si  Si8  1  0.869  0.127  0.505  1.0
  Si  Si9  1  0.369  0.373  0.495  1.0
  Si  Si10  1  0.131  0.873  0.495  1.0
  Si  Si11  1  0.631  0.627  0.505  1.0
  Mo  Mo12  1  0.500  0.000  0.500  1.0
  Mo  Mo13  1  0.000  0.500  0.500  1.0
  Mo  Mo14  1  0.163  0.251  0.250  1.0
  Mo  Mo15  1  0.663  0.249  0.750  1.0
  Mo  Mo16  1  0.837  0.749  0.750  1.0
  Mo  Mo17  1  0.337  0.751  0.250  1.0
[/CIF]
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The crystal structure described by Dy2Mo3Si4 is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic P2_1/c space group. Dy(1) is bonded in a 7-coordinate geometry to three equivalent Si(2) and four equivalent Si(1) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent Si(1) and four equivalent Si(2) atoms to form distorted corner-sharing MoSi6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to three equivalent Si(1) and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Dy(1), one Mo(1), three equivalent Mo(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Dy(1), two equivalent Mo(1), three equivalent Mo(2), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy2Si4Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.903
_cell_length_b   6.728
_cell_length_c   6.841
_cell_angle_alpha   71.163
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   300.713
_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
  Dy  Dy0  1  0.670  0.438  0.191  1.0
  Dy  Dy1  1  0.170  0.062  0.809  1.0
  Dy  Dy2  1  0.330  0.562  0.809  1.0
  Dy  Dy3  1  0.830  0.938  0.191  1.0
  Si  Si4  1  0.455  0.131  0.090  1.0
  Si  Si5  1  0.955  0.369  0.910  1.0
  Si  Si6  1  0.545  0.869  0.910  1.0
  Si  Si7  1  0.045  0.631  0.090  1.0
  Si  Si8  1  0.869  0.127  0.505  1.0
  Si  Si9  1  0.369  0.373  0.495  1.0
  Si  Si10  1  0.131  0.873  0.495  1.0
  Si  Si11  1  0.631  0.627  0.505  1.0
  Mo  Mo12  1  0.500  0.000  0.500  1.0
  Mo  Mo13  1  0.000  0.500  0.500  1.0
  Mo  Mo14  1  0.163  0.251  0.250  1.0
  Mo  Mo15  1  0.663  0.249  0.750  1.0
  Mo  Mo16  1  0.837  0.749  0.750  1.0
  Mo  Mo17  1  0.337  0.751  0.250  1.0
[/CIF]
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