The crystal structure described by NaDy3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded to twelve Dy(1,1,1) atoms to form NaDy12 cuboctahedra that share corners with six equivalent Na(1)Dy12 cuboctahedra; corners with twelve Dy(1,1,1)Na4Dy8 cuboctahedra; edges with eighteen Dy(1,1,1)Na4Dy8 cuboctahedra; faces with eight equivalent Na(1)Dy12 cuboctahedra; and faces with twelve Dy(1,1,1)Na4Dy8 cuboctahedra. There are three inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to four equivalent Na(1) and eight Dy(1,1,1) atoms to form distorted DyNa4Dy8 cuboctahedra that share corners with four equivalent Na(1)Dy12 cuboctahedra; corners with fourteen Dy(1,1,1)Na4Dy8 cuboctahedra; edges with six equivalent Na(1)Dy12 cuboctahedra; edges with twelve Dy(1,1,1)Na4Dy8 cuboctahedra; faces with four equivalent Na(1)Dy12 cuboctahedra; and faces with sixteen Dy(1,1,1)Na4Dy8 cuboctahedra. In the second Dy site, Dy(1) is bonded to four equivalent Na(1) and eight Dy(1,1,1) atoms to form distorted DyNa4Dy8 cuboctahedra that share corners with four equivalent Na(1)Dy12 cuboctahedra; corners with fourteen Dy(1,1,1)Na4Dy8 cuboctahedra; edges with six equivalent Na(1)Dy12 cuboctahedra; edges with twelve Dy(1,1,1)Na4Dy8 cuboctahedra; faces with four equivalent Na(1)Dy12 cuboctahedra; and faces with sixteen Dy(1,1,1)Na4Dy8 cuboctahedra. In the third Dy site, Dy(1) is bonded to four equivalent Na(1) and eight Dy(1,1,1) atoms to form distorted DyNa4Dy8 cuboctahedra that share corners with four equivalent Na(1)Dy12 cuboctahedra; corners with fourteen Dy(1,1,1)Na4Dy8 cuboctahedra; edges with six equivalent Na(1)Dy12 cuboctahedra; edges with twelve Dy(1,1,1)Na4Dy8 cuboctahedra; faces with four equivalent Na(1)Dy12 cuboctahedra; and faces with sixteen Dy(1,1,1)Na4Dy8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaDy3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.187
_cell_length_b   7.187
_cell_length_c   5.776
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   258.408
_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
  Na  Na0  1  0.333  0.667  0.750  1.0
  Na  Na1  1  0.667  0.333  0.250  1.0
  Dy  Dy2  1  0.164  0.836  0.250  1.0
  Dy  Dy3  1  0.836  0.671  0.750  1.0
  Dy  Dy4  1  0.329  0.164  0.750  1.0
  Dy  Dy5  1  0.836  0.164  0.750  1.0
  Dy  Dy6  1  0.164  0.329  0.250  1.0
  Dy  Dy7  1  0.671  0.836  0.250  1.0
[/CIF]
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The crystal structure described by NaDy3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded to twelve Dy(1,1,1) atoms to form NaDy12 cuboctahedra that share corners with six equivalent Na(1)Dy12 cuboctahedra; corners with twelve Dy(1,1,1)Na4Dy8 cuboctahedra; edges with eighteen Dy(1,1,1)Na4Dy8 cuboctahedra; faces with eight equivalent Na(1)Dy12 cuboctahedra; and faces with twelve Dy(1,1,1)Na4Dy8 cuboctahedra. There are three inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to four equivalent Na(1) and eight Dy(1,1,1) atoms to form distorted DyNa4Dy8 cuboctahedra that share corners with four equivalent Na(1)Dy12 cuboctahedra; corners with fourteen Dy(1,1,1)Na4Dy8 cuboctahedra; edges with six equivalent Na(1)Dy12 cuboctahedra; edges with twelve Dy(1,1,1)Na4Dy8 cuboctahedra; faces with four equivalent Na(1)Dy12 cuboctahedra; and faces with sixteen Dy(1,1,1)Na4Dy8 cuboctahedra. In the second Dy site, Dy(1) is bonded to four equivalent Na(1) and eight Dy(1,1,1) atoms to form distorted DyNa4Dy8 cuboctahedra that share corners with four equivalent Na(1)Dy12 cuboctahedra; corners with fourteen Dy(1,1,1)Na4Dy8 cuboctahedra; edges with six equivalent Na(1)Dy12 cuboctahedra; edges with twelve Dy(1,1,1)Na4Dy8 cuboctahedra; faces with four equivalent Na(1)Dy12 cuboctahedra; and faces with sixteen Dy(1,1,1)Na4Dy8 cuboctahedra. In the third Dy site, Dy(1) is bonded to four equivalent Na(1) and eight Dy(1,1,1) atoms to form distorted DyNa4Dy8 cuboctahedra that share corners with four equivalent Na(1)Dy12 cuboctahedra; corners with fourteen Dy(1,1,1)Na4Dy8 cuboctahedra; edges with six equivalent Na(1)Dy12 cuboctahedra; edges with twelve Dy(1,1,1)Na4Dy8 cuboctahedra; faces with four equivalent Na(1)Dy12 cuboctahedra; and faces with sixteen Dy(1,1,1)Na4Dy8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaDy3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.187
_cell_length_b   7.187
_cell_length_c   5.776
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   258.408
_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
  Na  Na0  1  0.333  0.667  0.750  1.0
  Na  Na1  1  0.667  0.333  0.250  1.0
  Dy  Dy2  1  0.164  0.836  0.250  1.0
  Dy  Dy3  1  0.836  0.671  0.750  1.0
  Dy  Dy4  1  0.329  0.164  0.750  1.0
  Dy  Dy5  1  0.836  0.164  0.750  1.0
  Dy  Dy6  1  0.164  0.329  0.250  1.0
  Dy  Dy7  1  0.671  0.836  0.250  1.0
[/CIF]
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