The material described by AcDy3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Ac(1) is bonded to four equivalent Dy(2) and eight equivalent Dy(1) atoms to form AcDy12 cuboctahedra that share corners with four equivalent Ac(1)Dy12 cuboctahedra, corners with eight equivalent Dy(2)Ac4Dy8 cuboctahedra, edges with eight equivalent Ac(1)Dy12 cuboctahedra, edges with sixteen equivalent Dy(1)Ac4Dy8 cuboctahedra, faces with four equivalent Ac(1)Dy12 cuboctahedra, faces with six equivalent Dy(2)Ac4Dy8 cuboctahedra, and faces with eight equivalent Dy(1)Ac4Dy8 cuboctahedra. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to four equivalent Ac(1), four equivalent Dy(1), and four equivalent Dy(2) atoms to form DyAc4Dy8 cuboctahedra that share corners with twelve equivalent Dy(1)Ac4Dy8 cuboctahedra, edges with eight equivalent Ac(1)Dy12 cuboctahedra, edges with eight equivalent Dy(1)Ac4Dy8 cuboctahedra, edges with eight equivalent Dy(2)Ac4Dy8 cuboctahedra, faces with four equivalent Ac(1)Dy12 cuboctahedra, faces with four equivalent Dy(2)Ac4Dy8 cuboctahedra, and faces with ten equivalent Dy(1)Ac4Dy8 cuboctahedra. In the second Dy site, Dy(2) is bonded to four equivalent Ac(1) and eight equivalent Dy(1) atoms to form DyAc4Dy8 cuboctahedra that share corners with four equivalent Dy(2)Ac4Dy8 cuboctahedra, corners with eight equivalent Ac(1)Dy12 cuboctahedra, edges with eight equivalent Dy(2)Ac4Dy8 cuboctahedra, edges with sixteen equivalent Dy(1)Ac4Dy8 cuboctahedra, faces with four equivalent Dy(2)Ac4Dy8 cuboctahedra, faces with six equivalent Ac(1)Dy12 cuboctahedra, and faces with eight equivalent Dy(1)Ac4Dy8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AcDy3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.314
_cell_length_b   6.314
_cell_length_c   6.314
_cell_angle_alpha   131.345
_cell_angle_beta   131.345
_cell_angle_gamma   71.266
_symmetry_Int_Tables_number   1
_cell_volume   138.900
_cell_formula_units_Z   1
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
  Ac  Ac0  1  0.000  0.000  0.000  1.0
  Dy  Dy1  1  0.750  0.250  0.500  1.0
  Dy  Dy2  1  0.250  0.750  0.500  1.0
  Dy  Dy3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by AcDy3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Ac(1) is bonded to four equivalent Dy(2) and eight equivalent Dy(1) atoms to form AcDy12 cuboctahedra that share corners with four equivalent Ac(1)Dy12 cuboctahedra, corners with eight equivalent Dy(2)Ac4Dy8 cuboctahedra, edges with eight equivalent Ac(1)Dy12 cuboctahedra, edges with sixteen equivalent Dy(1)Ac4Dy8 cuboctahedra, faces with four equivalent Ac(1)Dy12 cuboctahedra, faces with six equivalent Dy(2)Ac4Dy8 cuboctahedra, and faces with eight equivalent Dy(1)Ac4Dy8 cuboctahedra. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to four equivalent Ac(1), four equivalent Dy(1), and four equivalent Dy(2) atoms to form DyAc4Dy8 cuboctahedra that share corners with twelve equivalent Dy(1)Ac4Dy8 cuboctahedra, edges with eight equivalent Ac(1)Dy12 cuboctahedra, edges with eight equivalent Dy(1)Ac4Dy8 cuboctahedra, edges with eight equivalent Dy(2)Ac4Dy8 cuboctahedra, faces with four equivalent Ac(1)Dy12 cuboctahedra, faces with four equivalent Dy(2)Ac4Dy8 cuboctahedra, and faces with ten equivalent Dy(1)Ac4Dy8 cuboctahedra. In the second Dy site, Dy(2) is bonded to four equivalent Ac(1) and eight equivalent Dy(1) atoms to form DyAc4Dy8 cuboctahedra that share corners with four equivalent Dy(2)Ac4Dy8 cuboctahedra, corners with eight equivalent Ac(1)Dy12 cuboctahedra, edges with eight equivalent Dy(2)Ac4Dy8 cuboctahedra, edges with sixteen equivalent Dy(1)Ac4Dy8 cuboctahedra, faces with four equivalent Dy(2)Ac4Dy8 cuboctahedra, faces with six equivalent Ac(1)Dy12 cuboctahedra, and faces with eight equivalent Dy(1)Ac4Dy8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AcDy3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.314
_cell_length_b   6.314
_cell_length_c   6.314
_cell_angle_alpha   131.345
_cell_angle_beta   131.345
_cell_angle_gamma   71.266
_symmetry_Int_Tables_number   1
_cell_volume   138.900
_cell_formula_units_Z   1
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
  Ac  Ac0  1  0.000  0.000  0.000  1.0
  Dy  Dy1  1  0.750  0.250  0.500  1.0
  Dy  Dy2  1  0.250  0.750  0.500  1.0
  Dy  Dy3  1  0.500  0.500  0.000  1.0
[/CIF]
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