The crystal structure described by DyScSi is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. In the second Dy site, Dy(2) is bonded in a 11-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. In the third Dy site, Dy(3) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. In the fourth Dy site, Dy(4) is bonded to one Si(4), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms to form distorted corner-sharing DySi7 pentagonal bipyramids. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to one Dy(2), one Si(2), one Si(4), and two equivalent Si(3) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to one Dy(2), two equivalent Dy(1), two equivalent Dy(3), and two equivalent Si(1) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Dy(2), one Dy(4), two equivalent Dy(1), two equivalent Dy(3), two equivalent Sc(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Dy(2), two equivalent Dy(1), two equivalent Dy(4), and four equivalent Sc(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Dy(4), two equivalent Dy(1), two equivalent Dy(3), and four equivalent Sc(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Dy(4), two equivalent Dy(2), two equivalent Dy(3), and four equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyScSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.148
_cell_length_b   8.584
_cell_length_c   9.122
_cell_angle_alpha   122.107
_cell_angle_beta   89.998
_cell_angle_gamma   90.010
_symmetry_Int_Tables_number   1
_cell_volume   407.796
_cell_formula_units_Z   6
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  0.750  0.277  0.977  1.0
  Dy  Dy1  1  0.750  0.723  0.701  1.0
  Dy  Dy2  1  0.750  1.000  0.312  1.0
  Dy  Dy3  1  0.250  0.746  0.996  1.0
  Dy  Dy4  1  0.250  0.254  0.250  1.0
  Dy  Dy5  1  0.250  0.000  0.755  1.0
  Sc  Sc6  1  0.499  0.308  0.658  1.0
  Sc  Sc7  1  0.499  0.692  0.349  1.0
  Sc  Sc8  1  0.001  0.692  0.349  1.0
  Sc  Sc9  1  0.001  0.308  0.658  1.0
  Sc  Sc10  1  0.750  0.648  0.996  1.0
  Sc  Sc11  1  0.750  0.352  0.348  1.0
  Si  Si12  1  0.560  0.000  0.025  1.0
  Si  Si13  1  0.940  0.000  0.025  1.0
  Si  Si14  1  0.750  1.000  0.622  1.0
  Si  Si15  1  0.250  0.406  0.986  1.0
  Si  Si16  1  0.250  0.594  0.580  1.0
  Si  Si17  1  0.250  1.000  0.412  1.0
[/CIF]
.
The crystal structure described by DyScSi is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. In the second Dy site, Dy(2) is bonded in a 11-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. In the third Dy site, Dy(3) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. In the fourth Dy site, Dy(4) is bonded to one Si(4), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms to form distorted corner-sharing DySi7 pentagonal bipyramids. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to one Dy(2), one Si(2), one Si(4), and two equivalent Si(3) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to one Dy(2), two equivalent Dy(1), two equivalent Dy(3), and two equivalent Si(1) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Dy(2), one Dy(4), two equivalent Dy(1), two equivalent Dy(3), two equivalent Sc(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Dy(2), two equivalent Dy(1), two equivalent Dy(4), and four equivalent Sc(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Dy(4), two equivalent Dy(1), two equivalent Dy(3), and four equivalent Sc(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Dy(4), two equivalent Dy(2), two equivalent Dy(3), and four equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyScSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.148
_cell_length_b   8.584
_cell_length_c   9.122
_cell_angle_alpha   122.107
_cell_angle_beta   89.998
_cell_angle_gamma   90.010
_symmetry_Int_Tables_number   1
_cell_volume   407.796
_cell_formula_units_Z   6
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  0.750  0.277  0.977  1.0
  Dy  Dy1  1  0.750  0.723  0.701  1.0
  Dy  Dy2  1  0.750  1.000  0.312  1.0
  Dy  Dy3  1  0.250  0.746  0.996  1.0
  Dy  Dy4  1  0.250  0.254  0.250  1.0
  Dy  Dy5  1  0.250  0.000  0.755  1.0
  Sc  Sc6  1  0.499  0.308  0.658  1.0
  Sc  Sc7  1  0.499  0.692  0.349  1.0
  Sc  Sc8  1  0.001  0.692  0.349  1.0
  Sc  Sc9  1  0.001  0.308  0.658  1.0
  Sc  Sc10  1  0.750  0.648  0.996  1.0
  Sc  Sc11  1  0.750  0.352  0.348  1.0
  Si  Si12  1  0.560  0.000  0.025  1.0
  Si  Si13  1  0.940  0.000  0.025  1.0
  Si  Si14  1  0.750  1.000  0.622  1.0
  Si  Si15  1  0.250  0.406  0.986  1.0
  Si  Si16  1  0.250  0.594  0.580  1.0
  Si  Si17  1  0.250  1.000  0.412  1.0
[/CIF]
.