The material described by Na3Dy is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to eight Na(1,1,1) and four equivalent Dy(1) atoms to form distorted NaNa8Dy4 cuboctahedra that share corners with four equivalent Dy(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Dy4 cuboctahedra; edges with six equivalent Dy(1)Na12 cuboctahedra; edges with twelve Na(1,1,1)Na8Dy4 cuboctahedra; faces with four equivalent Dy(1)Na12 cuboctahedra; and faces with sixteen Na(1,1,1)Na8Dy4 cuboctahedra. In the second Na site, Na(1) is bonded to eight equivalent Na(1) and four equivalent Dy(1) atoms to form distorted NaNa8Dy4 cuboctahedra that share corners with four equivalent Dy(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Dy4 cuboctahedra; edges with six equivalent Dy(1)Na12 cuboctahedra; edges with twelve equivalent Na(1)Na8Dy4 cuboctahedra; faces with four equivalent Dy(1)Na12 cuboctahedra; and faces with sixteen Na(1,1,1)Na8Dy4 cuboctahedra. In the third Na site, Na(1) is bonded to eight equivalent Na(1) and four equivalent Dy(1) atoms to form distorted NaNa8Dy4 cuboctahedra that share corners with four equivalent Dy(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Dy4 cuboctahedra; edges with six equivalent Dy(1)Na12 cuboctahedra; edges with twelve equivalent Na(1)Na8Dy4 cuboctahedra; faces with four equivalent Dy(1)Na12 cuboctahedra; and faces with sixteen Na(1,1,1)Na8Dy4 cuboctahedra. Dy(1) is bonded to twelve Na(1,1,1) atoms to form DyNa12 cuboctahedra that share corners with six equivalent Dy(1)Na12 cuboctahedra; corners with twelve Na(1,1)Na8Dy4 cuboctahedra; edges with eighteen Na(1,1,1)Na8Dy4 cuboctahedra; faces with eight equivalent Dy(1)Na12 cuboctahedra; and faces with twelve Na(1,1,1)Na8Dy4 cuboctahedra. is represented by the CIF card [CIF]
data_Na3Dy
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.287
_cell_length_b   7.287
_cell_length_c   5.848
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   268.969
_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  0.163  0.326  0.250  1.0
  Na  Na1  1  0.674  0.837  0.250  1.0
  Na  Na2  1  0.163  0.837  0.250  1.0
  Na  Na3  1  0.837  0.674  0.750  1.0
  Na  Na4  1  0.326  0.163  0.750  1.0
  Na  Na5  1  0.837  0.163  0.750  1.0
  Dy  Dy6  1  0.333  0.667  0.750  1.0
  Dy  Dy7  1  0.667  0.333  0.250  1.0
[/CIF]
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The material described by Na3Dy is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to eight Na(1,1,1) and four equivalent Dy(1) atoms to form distorted NaNa8Dy4 cuboctahedra that share corners with four equivalent Dy(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Dy4 cuboctahedra; edges with six equivalent Dy(1)Na12 cuboctahedra; edges with twelve Na(1,1,1)Na8Dy4 cuboctahedra; faces with four equivalent Dy(1)Na12 cuboctahedra; and faces with sixteen Na(1,1,1)Na8Dy4 cuboctahedra. In the second Na site, Na(1) is bonded to eight equivalent Na(1) and four equivalent Dy(1) atoms to form distorted NaNa8Dy4 cuboctahedra that share corners with four equivalent Dy(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Dy4 cuboctahedra; edges with six equivalent Dy(1)Na12 cuboctahedra; edges with twelve equivalent Na(1)Na8Dy4 cuboctahedra; faces with four equivalent Dy(1)Na12 cuboctahedra; and faces with sixteen Na(1,1,1)Na8Dy4 cuboctahedra. In the third Na site, Na(1) is bonded to eight equivalent Na(1) and four equivalent Dy(1) atoms to form distorted NaNa8Dy4 cuboctahedra that share corners with four equivalent Dy(1)Na12 cuboctahedra; corners with fourteen Na(1,1)Na8Dy4 cuboctahedra; edges with six equivalent Dy(1)Na12 cuboctahedra; edges with twelve equivalent Na(1)Na8Dy4 cuboctahedra; faces with four equivalent Dy(1)Na12 cuboctahedra; and faces with sixteen Na(1,1,1)Na8Dy4 cuboctahedra. Dy(1) is bonded to twelve Na(1,1,1) atoms to form DyNa12 cuboctahedra that share corners with six equivalent Dy(1)Na12 cuboctahedra; corners with twelve Na(1,1)Na8Dy4 cuboctahedra; edges with eighteen Na(1,1,1)Na8Dy4 cuboctahedra; faces with eight equivalent Dy(1)Na12 cuboctahedra; and faces with twelve Na(1,1,1)Na8Dy4 cuboctahedra. is represented by the CIF card [CIF]
data_Na3Dy
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.287
_cell_length_b   7.287
_cell_length_c   5.848
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   268.969
_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  0.163  0.326  0.250  1.0
  Na  Na1  1  0.674  0.837  0.250  1.0
  Na  Na2  1  0.163  0.837  0.250  1.0
  Na  Na3  1  0.837  0.674  0.750  1.0
  Na  Na4  1  0.326  0.163  0.750  1.0
  Na  Na5  1  0.837  0.163  0.750  1.0
  Dy  Dy6  1  0.333  0.667  0.750  1.0
  Dy  Dy7  1  0.667  0.333  0.250  1.0
[/CIF]
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