The material described by Rb5(DyI4)3 crystallizes in the hexagonal P-62m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to six equivalent I(3) atoms to form distorted RbI6 pentagonal pyramids that share corners with six equivalent Dy(1)I6 octahedra and faces with two equivalent Rb(1)I6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 69°. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one I(2), two equivalent I(1), and four equivalent I(3) atoms. 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 Rb(1)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 to two equivalent Rb(2) and two equivalent Dy(1) atoms to form distorted corner-sharing IRb2Dy2 trigonal pyramids. In the second I site, I(2) is bonded in a 3-coordinate geometry to one Rb(2) and two equivalent Dy(1) atoms. In the third I site, I(3) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Dy(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb5(DyI4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.264
_cell_length_b   15.264
_cell_length_c   4.583
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   924.755
_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
  Rb  Rb0  1  0.333  0.667  0.000  1.0
  Rb  Rb1  1  0.667  0.333  0.000  1.0
  Rb  Rb2  1  0.718  0.000  0.000  1.0
  Rb  Rb3  1  0.000  0.718  0.000  1.0
  Rb  Rb4  1  0.282  0.282  0.000  1.0
  Dy  Dy5  1  0.323  0.000  0.500  1.0
  Dy  Dy6  1  0.000  0.323  0.500  1.0
  Dy  Dy7  1  0.677  0.677  0.500  1.0
  I  I8  1  0.183  0.000  0.000  1.0
  I  I9  1  0.000  0.183  0.000  1.0
  I  I10  1  0.817  0.817  0.000  1.0
  I  I11  1  0.460  0.000  0.000  1.0
  I  I12  1  0.000  0.460  0.000  1.0
  I  I13  1  0.540  0.540  0.000  1.0
  I  I14  1  0.233  0.441  0.500  1.0
  I  I15  1  0.559  0.792  0.500  1.0
  I  I16  1  0.441  0.233  0.500  1.0
  I  I17  1  0.208  0.767  0.500  1.0
  I  I18  1  0.792  0.559  0.500  1.0
  I  I19  1  0.767  0.208  0.500  1.0
[/CIF]
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The material described by Rb5(DyI4)3 crystallizes in the hexagonal P-62m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to six equivalent I(3) atoms to form distorted RbI6 pentagonal pyramids that share corners with six equivalent Dy(1)I6 octahedra and faces with two equivalent Rb(1)I6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 69°. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one I(2), two equivalent I(1), and four equivalent I(3) atoms. 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 Rb(1)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 to two equivalent Rb(2) and two equivalent Dy(1) atoms to form distorted corner-sharing IRb2Dy2 trigonal pyramids. In the second I site, I(2) is bonded in a 3-coordinate geometry to one Rb(2) and two equivalent Dy(1) atoms. In the third I site, I(3) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Dy(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb5(DyI4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.264
_cell_length_b   15.264
_cell_length_c   4.583
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   924.755
_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
  Rb  Rb0  1  0.333  0.667  0.000  1.0
  Rb  Rb1  1  0.667  0.333  0.000  1.0
  Rb  Rb2  1  0.718  0.000  0.000  1.0
  Rb  Rb3  1  0.000  0.718  0.000  1.0
  Rb  Rb4  1  0.282  0.282  0.000  1.0
  Dy  Dy5  1  0.323  0.000  0.500  1.0
  Dy  Dy6  1  0.000  0.323  0.500  1.0
  Dy  Dy7  1  0.677  0.677  0.500  1.0
  I  I8  1  0.183  0.000  0.000  1.0
  I  I9  1  0.000  0.183  0.000  1.0
  I  I10  1  0.817  0.817  0.000  1.0
  I  I11  1  0.460  0.000  0.000  1.0
  I  I12  1  0.000  0.460  0.000  1.0
  I  I13  1  0.540  0.540  0.000  1.0
  I  I14  1  0.233  0.441  0.500  1.0
  I  I15  1  0.559  0.792  0.500  1.0
  I  I16  1  0.441  0.233  0.500  1.0
  I  I17  1  0.208  0.767  0.500  1.0
  I  I18  1  0.792  0.559  0.500  1.0
  I  I19  1  0.767  0.208  0.500  1.0
[/CIF]
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