The material described by MgDy3 crystallizes in the tetragonal P4/mmm space group. Mg(1) is bonded in a body-centered cubic geometry to eight equivalent Dy(1) atoms. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to four equivalent Mg(1), four equivalent Dy(1), and four equivalent Dy(2) atoms to form distorted DyDy8Mg4 cuboctahedra that share corners with twelve equivalent Dy(1)Dy8Mg4 cuboctahedra, edges with eight equivalent Dy(2)Dy12 cuboctahedra, edges with eight equivalent Dy(1)Dy8Mg4 cuboctahedra, faces with four equivalent Dy(2)Dy12 cuboctahedra, and faces with ten equivalent Dy(1)Dy8Mg4 cuboctahedra. In the second Dy site, Dy(2) is bonded to four equivalent Dy(2) and eight equivalent Dy(1) atoms to form DyDy12 cuboctahedra that share corners with four equivalent Dy(2)Dy12 cuboctahedra, edges with sixteen equivalent Dy(1)Dy8Mg4 cuboctahedra, faces with eight equivalent Dy(2)Dy12 cuboctahedra, and faces with eight equivalent Dy(1)Dy8Mg4 cuboctahedra. is represented by the CIF card [CIF]
data_Dy3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.562
_cell_length_b   3.562
_cell_length_c   9.303
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.055
_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
  Dy  Dy0  1  0.500  0.500  0.765  1.0
  Dy  Dy1  1  0.000  0.000  0.500  1.0
  Dy  Dy2  1  0.500  0.500  0.235  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by MgDy3 crystallizes in the tetragonal P4/mmm space group. Mg(1) is bonded in a body-centered cubic geometry to eight equivalent Dy(1) atoms. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to four equivalent Mg(1), four equivalent Dy(1), and four equivalent Dy(2) atoms to form distorted DyDy8Mg4 cuboctahedra that share corners with twelve equivalent Dy(1)Dy8Mg4 cuboctahedra, edges with eight equivalent Dy(2)Dy12 cuboctahedra, edges with eight equivalent Dy(1)Dy8Mg4 cuboctahedra, faces with four equivalent Dy(2)Dy12 cuboctahedra, and faces with ten equivalent Dy(1)Dy8Mg4 cuboctahedra. In the second Dy site, Dy(2) is bonded to four equivalent Dy(2) and eight equivalent Dy(1) atoms to form DyDy12 cuboctahedra that share corners with four equivalent Dy(2)Dy12 cuboctahedra, edges with sixteen equivalent Dy(1)Dy8Mg4 cuboctahedra, faces with eight equivalent Dy(2)Dy12 cuboctahedra, and faces with eight equivalent Dy(1)Dy8Mg4 cuboctahedra. is represented by the CIF card [CIF]
data_Dy3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.562
_cell_length_b   3.562
_cell_length_c   9.303
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.055
_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
  Dy  Dy0  1  0.500  0.500  0.765  1.0
  Dy  Dy1  1  0.000  0.000  0.500  1.0
  Dy  Dy2  1  0.500  0.500  0.235  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
[/CIF]
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