The material described by K3Dy is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. K(1) is bonded to eight equivalent K(1) and four equivalent Dy(1) atoms to form distorted KK8Dy4 cuboctahedra that share corners with four equivalent Dy(1)K12 cuboctahedra, corners with fourteen equivalent K(1)K8Dy4 cuboctahedra, edges with six equivalent Dy(1)K12 cuboctahedra, edges with twelve equivalent K(1)K8Dy4 cuboctahedra, faces with four equivalent Dy(1)K12 cuboctahedra, and faces with sixteen equivalent K(1)K8Dy4 cuboctahedra. Dy(1) is bonded to twelve equivalent K(1) atoms to form DyK12 cuboctahedra that share corners with six equivalent Dy(1)K12 cuboctahedra, corners with twelve equivalent K(1)K8Dy4 cuboctahedra, edges with eighteen equivalent K(1)K8Dy4 cuboctahedra, faces with eight equivalent Dy(1)K12 cuboctahedra, and faces with twelve equivalent K(1)K8Dy4 cuboctahedra. is represented by the CIF card [CIF]
data_K3Dy
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.609
_cell_length_b   8.609
_cell_length_c   7.079
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   454.340
_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
  K  K0  1  0.171  0.343  0.250  1.0
  K  K1  1  0.657  0.829  0.250  1.0
  K  K2  1  0.171  0.829  0.250  1.0
  K  K3  1  0.829  0.657  0.750  1.0
  K  K4  1  0.343  0.171  0.750  1.0
  K  K5  1  0.829  0.171  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 K3Dy is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. K(1) is bonded to eight equivalent K(1) and four equivalent Dy(1) atoms to form distorted KK8Dy4 cuboctahedra that share corners with four equivalent Dy(1)K12 cuboctahedra, corners with fourteen equivalent K(1)K8Dy4 cuboctahedra, edges with six equivalent Dy(1)K12 cuboctahedra, edges with twelve equivalent K(1)K8Dy4 cuboctahedra, faces with four equivalent Dy(1)K12 cuboctahedra, and faces with sixteen equivalent K(1)K8Dy4 cuboctahedra. Dy(1) is bonded to twelve equivalent K(1) atoms to form DyK12 cuboctahedra that share corners with six equivalent Dy(1)K12 cuboctahedra, corners with twelve equivalent K(1)K8Dy4 cuboctahedra, edges with eighteen equivalent K(1)K8Dy4 cuboctahedra, faces with eight equivalent Dy(1)K12 cuboctahedra, and faces with twelve equivalent K(1)K8Dy4 cuboctahedra. is represented by the CIF card [CIF]
data_K3Dy
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.609
_cell_length_b   8.609
_cell_length_c   7.079
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   454.340
_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
  K  K0  1  0.171  0.343  0.250  1.0
  K  K1  1  0.657  0.829  0.250  1.0
  K  K2  1  0.171  0.829  0.250  1.0
  K  K3  1  0.829  0.657  0.750  1.0
  K  K4  1  0.343  0.171  0.750  1.0
  K  K5  1  0.829  0.171  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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