The crystal structure described by DyNi4Sn crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(1) and twelve equivalent Ni(2) atoms. In the second Dy site, Dy(2) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Sn(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 11-coordinate geometry to one Dy(1), two equivalent Dy(2), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Sn(1) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Dy(1), two equivalent Dy(2), two equivalent Ni(2), four equivalent Ni(1), and two equivalent Sn(1) atoms to form distorted NiDy4Ni6Sn2 cuboctahedra that share corners with four equivalent Sn(1)Dy4Ni8 cuboctahedra, corners with fourteen equivalent Ni(2)Dy4Ni6Sn2 cuboctahedra, edges with five equivalent Ni(2)Dy4Ni6Sn2 cuboctahedra, faces with six equivalent Sn(1)Dy4Ni8 cuboctahedra, and faces with seven equivalent Ni(2)Dy4Ni6Sn2 cuboctahedra. Sn(1) is bonded to four equivalent Dy(2), four equivalent Ni(1), and four equivalent Ni(2) atoms to form SnDy4Ni8 cuboctahedra that share corners with eight equivalent Ni(2)Dy4Ni6Sn2 cuboctahedra, corners with eight equivalent Sn(1)Dy4Ni8 cuboctahedra, faces with six equivalent Sn(1)Dy4Ni8 cuboctahedra, and faces with twelve equivalent Ni(2)Dy4Ni6Sn2 cuboctahedra. is represented by the CIF file [CIF]
data_DyNi4Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.031
_cell_length_b   8.910
_cell_length_c   8.910
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.173
_cell_formula_units_Z   3
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  0.000  0.000  0.000  1.0
  Dy  Dy1  1  0.500  0.667  0.333  1.0
  Dy  Dy2  1  0.500  0.333  0.667  1.0
  Ni  Ni3  1  0.000  0.823  0.177  1.0
  Ni  Ni4  1  0.000  0.177  0.823  1.0
  Ni  Ni5  1  0.000  0.355  0.177  1.0
  Ni  Ni6  1  0.000  0.645  0.823  1.0
  Ni  Ni7  1  0.000  0.823  0.645  1.0
  Ni  Ni8  1  0.000  0.177  0.355  1.0
  Ni  Ni9  1  0.500  0.714  0.714  1.0
  Ni  Ni10  1  0.500  0.286  0.286  1.0
  Ni  Ni11  1  0.500  0.000  0.286  1.0
  Ni  Ni12  1  0.500  0.000  0.714  1.0
  Ni  Ni13  1  0.500  0.286  0.000  1.0
  Ni  Ni14  1  0.500  0.714  0.000  1.0
  Sn  Sn15  1  0.000  0.500  0.500  1.0
  Sn  Sn16  1  0.000  0.000  0.500  1.0
  Sn  Sn17  1  0.000  0.500  0.000  1.0
[/CIF]
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The crystal structure described by DyNi4Sn crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(1) and twelve equivalent Ni(2) atoms. In the second Dy site, Dy(2) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Sn(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 11-coordinate geometry to one Dy(1), two equivalent Dy(2), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Sn(1) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Dy(1), two equivalent Dy(2), two equivalent Ni(2), four equivalent Ni(1), and two equivalent Sn(1) atoms to form distorted NiDy4Ni6Sn2 cuboctahedra that share corners with four equivalent Sn(1)Dy4Ni8 cuboctahedra, corners with fourteen equivalent Ni(2)Dy4Ni6Sn2 cuboctahedra, edges with five equivalent Ni(2)Dy4Ni6Sn2 cuboctahedra, faces with six equivalent Sn(1)Dy4Ni8 cuboctahedra, and faces with seven equivalent Ni(2)Dy4Ni6Sn2 cuboctahedra. Sn(1) is bonded to four equivalent Dy(2), four equivalent Ni(1), and four equivalent Ni(2) atoms to form SnDy4Ni8 cuboctahedra that share corners with eight equivalent Ni(2)Dy4Ni6Sn2 cuboctahedra, corners with eight equivalent Sn(1)Dy4Ni8 cuboctahedra, faces with six equivalent Sn(1)Dy4Ni8 cuboctahedra, and faces with twelve equivalent Ni(2)Dy4Ni6Sn2 cuboctahedra. is represented by the CIF file [CIF]
data_DyNi4Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.031
_cell_length_b   8.910
_cell_length_c   8.910
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.173
_cell_formula_units_Z   3
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  0.000  0.000  0.000  1.0
  Dy  Dy1  1  0.500  0.667  0.333  1.0
  Dy  Dy2  1  0.500  0.333  0.667  1.0
  Ni  Ni3  1  0.000  0.823  0.177  1.0
  Ni  Ni4  1  0.000  0.177  0.823  1.0
  Ni  Ni5  1  0.000  0.355  0.177  1.0
  Ni  Ni6  1  0.000  0.645  0.823  1.0
  Ni  Ni7  1  0.000  0.823  0.645  1.0
  Ni  Ni8  1  0.000  0.177  0.355  1.0
  Ni  Ni9  1  0.500  0.714  0.714  1.0
  Ni  Ni10  1  0.500  0.286  0.286  1.0
  Ni  Ni11  1  0.500  0.000  0.286  1.0
  Ni  Ni12  1  0.500  0.000  0.714  1.0
  Ni  Ni13  1  0.500  0.286  0.000  1.0
  Ni  Ni14  1  0.500  0.714  0.000  1.0
  Sn  Sn15  1  0.000  0.500  0.500  1.0
  Sn  Sn16  1  0.000  0.000  0.500  1.0
  Sn  Sn17  1  0.000  0.500  0.000  1.0
[/CIF]
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