The structure described by K5(DyI4)3 crystallizes in the hexagonal P-62m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one I(3), two equivalent I(1), and four equivalent I(2) atoms. In the second K site, K(2) is bonded to six equivalent I(2) atoms to form distorted KI6 pentagonal pyramids that share corners with six equivalent Dy(1)I6 octahedra and faces with two equivalent K(2)I6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 70°. Dy(1) is bonded to two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms to form DyI6 octahedra that share corners with four equivalent K(2)I6 pentagonal pyramids and edges with two equivalent Dy(1)I6 octahedra. There are three inequivalent I sites. In the first I site, I(1) is bonded in a rectangular see-saw-like geometry to two equivalent K(1) and two equivalent Dy(1) atoms. In the second I site, I(2) is bonded to two equivalent K(1), two equivalent K(2), and one Dy(1) atom to form a mixture of distorted corner and edge-sharing IK4Dy trigonal bipyramids. In the third I site, I(3) is bonded in a 3-coordinate geometry to one K(1) and two equivalent Dy(1) atoms. is represented by the CIF card [CIF]
data_K5(DyI4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.870
_cell_length_b   14.870
_cell_length_c   4.448
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   851.691
_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
  K  K0  1  0.717  0.000  0.500  1.0
  K  K1  1  0.283  0.283  0.500  1.0
  K  K2  1  0.000  0.717  0.500  1.0
  K  K3  1  0.667  0.333  0.500  1.0
  K  K4  1  0.333  0.667  0.500  1.0
  Dy  Dy5  1  0.324  0.000  0.000  1.0
  Dy  Dy6  1  0.000  0.324  0.000  1.0
  Dy  Dy7  1  0.676  0.676  0.000  1.0
  I  I8  1  0.176  0.000  0.500  1.0
  I  I9  1  0.239  0.444  0.000  1.0
  I  I10  1  0.556  0.795  0.000  1.0
  I  I11  1  0.000  0.176  0.500  1.0
  I  I12  1  0.824  0.824  0.500  1.0
  I  I13  1  0.000  0.468  0.500  1.0
  I  I14  1  0.468  0.000  0.500  1.0
  I  I15  1  0.532  0.532  0.500  1.0
  I  I16  1  0.761  0.205  0.000  1.0
  I  I17  1  0.444  0.239  0.000  1.0
  I  I18  1  0.795  0.556  0.000  1.0
  I  I19  1  0.205  0.761  0.000  1.0
[/CIF]
.
The structure described by K5(DyI4)3 crystallizes in the hexagonal P-62m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one I(3), two equivalent I(1), and four equivalent I(2) atoms. In the second K site, K(2) is bonded to six equivalent I(2) atoms to form distorted KI6 pentagonal pyramids that share corners with six equivalent Dy(1)I6 octahedra and faces with two equivalent K(2)I6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 70°. Dy(1) is bonded to two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms to form DyI6 octahedra that share corners with four equivalent K(2)I6 pentagonal pyramids and edges with two equivalent Dy(1)I6 octahedra. There are three inequivalent I sites. In the first I site, I(1) is bonded in a rectangular see-saw-like geometry to two equivalent K(1) and two equivalent Dy(1) atoms. In the second I site, I(2) is bonded to two equivalent K(1), two equivalent K(2), and one Dy(1) atom to form a mixture of distorted corner and edge-sharing IK4Dy trigonal bipyramids. In the third I site, I(3) is bonded in a 3-coordinate geometry to one K(1) and two equivalent Dy(1) atoms. is represented by the CIF card [CIF]
data_K5(DyI4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.870
_cell_length_b   14.870
_cell_length_c   4.448
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   851.691
_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
  K  K0  1  0.717  0.000  0.500  1.0
  K  K1  1  0.283  0.283  0.500  1.0
  K  K2  1  0.000  0.717  0.500  1.0
  K  K3  1  0.667  0.333  0.500  1.0
  K  K4  1  0.333  0.667  0.500  1.0
  Dy  Dy5  1  0.324  0.000  0.000  1.0
  Dy  Dy6  1  0.000  0.324  0.000  1.0
  Dy  Dy7  1  0.676  0.676  0.000  1.0
  I  I8  1  0.176  0.000  0.500  1.0
  I  I9  1  0.239  0.444  0.000  1.0
  I  I10  1  0.556  0.795  0.000  1.0
  I  I11  1  0.000  0.176  0.500  1.0
  I  I12  1  0.824  0.824  0.500  1.0
  I  I13  1  0.000  0.468  0.500  1.0
  I  I14  1  0.468  0.000  0.500  1.0
  I  I15  1  0.532  0.532  0.500  1.0
  I  I16  1  0.761  0.205  0.000  1.0
  I  I17  1  0.444  0.239  0.000  1.0
  I  I18  1  0.795  0.556  0.000  1.0
  I  I19  1  0.205  0.761  0.000  1.0
[/CIF]
.