The material described by Dy5Ni2Sb crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to three equivalent Ni(1) and two equivalent Sb(1) atoms to form distorted DyNi3Sb2 trigonal bipyramids that share corners with four equivalent Dy(2)Ni4Sb2 octahedra, corners with twelve equivalent Dy(1)Ni3Sb2 trigonal bipyramids, edges with seven equivalent Dy(1)Ni3Sb2 trigonal bipyramids, faces with two equivalent Dy(2)Ni4Sb2 octahedra, and  a faceface with one Dy(1)Ni3Sb2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-62°. In the second Dy site, Dy(2) is bonded to four equivalent Ni(1) and two equivalent Sb(1) atoms to form DyNi4Sb2 octahedra that share corners with six equivalent Dy(2)Ni4Sb2 octahedra, corners with sixteen equivalent Dy(1)Ni3Sb2 trigonal bipyramids, and faces with eight equivalent Dy(1)Ni3Sb2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-51°. Ni(1) is bonded in a 8-coordinate geometry to two equivalent Dy(2) and six equivalent Dy(1) atoms. Sb(1) is bonded in a distorted q6 geometry to two equivalent Dy(2) and eight equivalent Dy(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy5Ni2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.628
_cell_length_b   7.628
_cell_length_c   8.520
_cell_angle_alpha   116.581
_cell_angle_beta   116.581
_cell_angle_gamma   90.014
_symmetry_Int_Tables_number   1
_cell_volume   383.831
_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  0.208  0.020  0.728  1.0
  Dy  Dy1  1  0.020  0.520  0.728  1.0
  Dy  Dy2  1  0.708  0.208  0.728  1.0
  Dy  Dy3  1  0.980  0.480  0.272  1.0
  Dy  Dy4  1  0.520  0.708  0.728  1.0
  Dy  Dy5  1  0.792  0.980  0.272  1.0
  Dy  Dy6  1  0.480  0.292  0.272  1.0
  Dy  Dy7  1  0.292  0.792  0.272  1.0
  Dy  Dy8  1  0.500  0.500  0.000  1.0
  Dy  Dy9  1  0.000  0.000  0.000  1.0
  Ni  Ni10  1  0.370  0.870  0.000  1.0
  Ni  Ni11  1  0.130  0.370  0.000  1.0
  Ni  Ni12  1  0.630  0.130  1.000  1.0
  Ni  Ni13  1  0.870  0.630  0.000  1.0
  Sb  Sb14  1  0.250  0.250  0.500  1.0
  Sb  Sb15  1  0.750  0.750  0.500  1.0
[/CIF]
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The material described by Dy5Ni2Sb crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to three equivalent Ni(1) and two equivalent Sb(1) atoms to form distorted DyNi3Sb2 trigonal bipyramids that share corners with four equivalent Dy(2)Ni4Sb2 octahedra, corners with twelve equivalent Dy(1)Ni3Sb2 trigonal bipyramids, edges with seven equivalent Dy(1)Ni3Sb2 trigonal bipyramids, faces with two equivalent Dy(2)Ni4Sb2 octahedra, and  a faceface with one Dy(1)Ni3Sb2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-62°. In the second Dy site, Dy(2) is bonded to four equivalent Ni(1) and two equivalent Sb(1) atoms to form DyNi4Sb2 octahedra that share corners with six equivalent Dy(2)Ni4Sb2 octahedra, corners with sixteen equivalent Dy(1)Ni3Sb2 trigonal bipyramids, and faces with eight equivalent Dy(1)Ni3Sb2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-51°. Ni(1) is bonded in a 8-coordinate geometry to two equivalent Dy(2) and six equivalent Dy(1) atoms. Sb(1) is bonded in a distorted q6 geometry to two equivalent Dy(2) and eight equivalent Dy(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy5Ni2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.628
_cell_length_b   7.628
_cell_length_c   8.520
_cell_angle_alpha   116.581
_cell_angle_beta   116.581
_cell_angle_gamma   90.014
_symmetry_Int_Tables_number   1
_cell_volume   383.831
_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  0.208  0.020  0.728  1.0
  Dy  Dy1  1  0.020  0.520  0.728  1.0
  Dy  Dy2  1  0.708  0.208  0.728  1.0
  Dy  Dy3  1  0.980  0.480  0.272  1.0
  Dy  Dy4  1  0.520  0.708  0.728  1.0
  Dy  Dy5  1  0.792  0.980  0.272  1.0
  Dy  Dy6  1  0.480  0.292  0.272  1.0
  Dy  Dy7  1  0.292  0.792  0.272  1.0
  Dy  Dy8  1  0.500  0.500  0.000  1.0
  Dy  Dy9  1  0.000  0.000  0.000  1.0
  Ni  Ni10  1  0.370  0.870  0.000  1.0
  Ni  Ni11  1  0.130  0.370  0.000  1.0
  Ni  Ni12  1  0.630  0.130  1.000  1.0
  Ni  Ni13  1  0.870  0.630  0.000  1.0
  Sb  Sb14  1  0.250  0.250  0.500  1.0
  Sb  Sb15  1  0.750  0.750  0.500  1.0
[/CIF]
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