The material described by Rb2NdI5 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent I(1), two equivalent I(2), two equivalent I(3), and two equivalent I(4) atoms. Nd(1) is bonded to one I(1), one I(3), one I(4), and four equivalent I(2) atoms to form distorted edge-sharing NdI7 pentagonal bipyramids. There are four inequivalent I sites. In the first I site, I(1) is bonded to four equivalent Rb(1) and one Nd(1) atom to form a mixture of distorted corner and edge-sharing IRb4Nd trigonal bipyramids. In the second I site, I(2) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent Nd(1) atoms. In the third I site, I(3) is bonded to four equivalent Rb(1) and one Nd(1) atom to form a mixture of face, corner, and edge-sharing IRb4Nd trigonal bipyramids. In the fourth I site, I(4) is bonded to four equivalent Rb(1) and one Nd(1) atom to form a mixture of distorted face, corner, and edge-sharing IRb4Nd trigonal bipyramids. is represented by the CIF card [CIF]
data_Rb2NdI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.356
_cell_length_b   10.011
_cell_length_c   14.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1386.458
_cell_formula_units_Z   4
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  0.938  0.004  0.827  1.0
  Rb  Rb1  1  0.062  0.996  0.173  1.0
  Rb  Rb2  1  0.438  0.996  0.673  1.0
  Rb  Rb3  1  0.062  0.504  0.173  1.0
  Rb  Rb4  1  0.562  0.004  0.327  1.0
  Rb  Rb5  1  0.938  0.496  0.827  1.0
  Rb  Rb6  1  0.562  0.496  0.327  1.0
  Rb  Rb7  1  0.438  0.504  0.673  1.0
  Nd  Nd8  1  0.921  0.750  0.505  1.0
  Nd  Nd9  1  0.079  0.250  0.495  1.0
  Nd  Nd10  1  0.421  0.250  0.995  1.0
  Nd  Nd11  1  0.579  0.750  0.005  1.0
  I  I12  1  0.119  0.750  0.679  1.0
  I  I13  1  0.881  0.250  0.321  1.0
  I  I14  1  0.619  0.250  0.821  1.0
  I  I15  1  0.381  0.750  0.179  1.0
  I  I16  1  0.833  0.045  0.573  1.0
  I  I17  1  0.167  0.955  0.427  1.0
  I  I18  1  0.333  0.955  0.927  1.0
  I  I19  1  0.167  0.545  0.427  1.0
  I  I20  1  0.667  0.045  0.073  1.0
  I  I21  1  0.833  0.455  0.573  1.0
  I  I22  1  0.667  0.455  0.073  1.0
  I  I23  1  0.333  0.545  0.927  1.0
  I  I24  1  0.575  0.750  0.510  1.0
  I  I25  1  0.425  0.250  0.490  1.0
  I  I26  1  0.075  0.250  0.990  1.0
  I  I27  1  0.925  0.750  0.010  1.0
  I  I28  1  0.657  0.750  0.797  1.0
  I  I29  1  0.343  0.250  0.203  1.0
  I  I30  1  0.157  0.250  0.703  1.0
  I  I31  1  0.843  0.750  0.297  1.0
[/CIF]
.
The material described by Rb2NdI5 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent I(1), two equivalent I(2), two equivalent I(3), and two equivalent I(4) atoms. Nd(1) is bonded to one I(1), one I(3), one I(4), and four equivalent I(2) atoms to form distorted edge-sharing NdI7 pentagonal bipyramids. There are four inequivalent I sites. In the first I site, I(1) is bonded to four equivalent Rb(1) and one Nd(1) atom to form a mixture of distorted corner and edge-sharing IRb4Nd trigonal bipyramids. In the second I site, I(2) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent Nd(1) atoms. In the third I site, I(3) is bonded to four equivalent Rb(1) and one Nd(1) atom to form a mixture of face, corner, and edge-sharing IRb4Nd trigonal bipyramids. In the fourth I site, I(4) is bonded to four equivalent Rb(1) and one Nd(1) atom to form a mixture of distorted face, corner, and edge-sharing IRb4Nd trigonal bipyramids. is represented by the CIF card [CIF]
data_Rb2NdI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.356
_cell_length_b   10.011
_cell_length_c   14.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1386.458
_cell_formula_units_Z   4
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  0.938  0.004  0.827  1.0
  Rb  Rb1  1  0.062  0.996  0.173  1.0
  Rb  Rb2  1  0.438  0.996  0.673  1.0
  Rb  Rb3  1  0.062  0.504  0.173  1.0
  Rb  Rb4  1  0.562  0.004  0.327  1.0
  Rb  Rb5  1  0.938  0.496  0.827  1.0
  Rb  Rb6  1  0.562  0.496  0.327  1.0
  Rb  Rb7  1  0.438  0.504  0.673  1.0
  Nd  Nd8  1  0.921  0.750  0.505  1.0
  Nd  Nd9  1  0.079  0.250  0.495  1.0
  Nd  Nd10  1  0.421  0.250  0.995  1.0
  Nd  Nd11  1  0.579  0.750  0.005  1.0
  I  I12  1  0.119  0.750  0.679  1.0
  I  I13  1  0.881  0.250  0.321  1.0
  I  I14  1  0.619  0.250  0.821  1.0
  I  I15  1  0.381  0.750  0.179  1.0
  I  I16  1  0.833  0.045  0.573  1.0
  I  I17  1  0.167  0.955  0.427  1.0
  I  I18  1  0.333  0.955  0.927  1.0
  I  I19  1  0.167  0.545  0.427  1.0
  I  I20  1  0.667  0.045  0.073  1.0
  I  I21  1  0.833  0.455  0.573  1.0
  I  I22  1  0.667  0.455  0.073  1.0
  I  I23  1  0.333  0.545  0.927  1.0
  I  I24  1  0.575  0.750  0.510  1.0
  I  I25  1  0.425  0.250  0.490  1.0
  I  I26  1  0.075  0.250  0.990  1.0
  I  I27  1  0.925  0.750  0.010  1.0
  I  I28  1  0.657  0.750  0.797  1.0
  I  I29  1  0.343  0.250  0.203  1.0
  I  I30  1  0.157  0.250  0.703  1.0
  I  I31  1  0.843  0.750  0.297  1.0
[/CIF]
.