The material structure described by Rb2ZnI3 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to one Zn(1), two equivalent I(1), and four equivalent I(2) atoms to form a mixture of distorted edge and corner-sharing RbZnI6 pentagonal bipyramids. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to one I(1) and four equivalent I(2) atoms. Zn(1) is bonded in a 3-coordinate geometry to one Rb(1), one I(1), and two equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted rectangular see-saw-like geometry to one Rb(2), two equivalent Rb(1), and one Zn(1) atom. In the second I site, I(2) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_Rb2ZnI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.624
_cell_length_b   7.134
_cell_length_c   10.394
_cell_angle_alpha   74.897
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   617.367
_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
  Rb  Rb0  1  0.750  0.339  0.966  1.0
  Rb  Rb1  1  0.750  0.825  0.409  1.0
  Rb  Rb2  1  0.250  0.175  0.591  1.0
  Rb  Rb3  1  0.250  0.661  0.034  1.0
  Zn  Zn4  1  0.250  0.063  0.217  1.0
  Zn  Zn5  1  0.750  0.937  0.783  1.0
  I  I6  1  0.250  0.196  0.938  1.0
  I  I7  1  0.999  0.735  0.711  1.0
  I  I8  1  0.501  0.735  0.711  1.0
  I  I9  1  0.499  0.265  0.289  1.0
  I  I10  1  0.001  0.265  0.289  1.0
  I  I11  1  0.750  0.804  0.062  1.0
[/CIF]
.
The material structure described by Rb2ZnI3 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to one Zn(1), two equivalent I(1), and four equivalent I(2) atoms to form a mixture of distorted edge and corner-sharing RbZnI6 pentagonal bipyramids. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to one I(1) and four equivalent I(2) atoms. Zn(1) is bonded in a 3-coordinate geometry to one Rb(1), one I(1), and two equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted rectangular see-saw-like geometry to one Rb(2), two equivalent Rb(1), and one Zn(1) atom. In the second I site, I(2) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_Rb2ZnI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.624
_cell_length_b   7.134
_cell_length_c   10.394
_cell_angle_alpha   74.897
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   617.367
_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
  Rb  Rb0  1  0.750  0.339  0.966  1.0
  Rb  Rb1  1  0.750  0.825  0.409  1.0
  Rb  Rb2  1  0.250  0.175  0.591  1.0
  Rb  Rb3  1  0.250  0.661  0.034  1.0
  Zn  Zn4  1  0.250  0.063  0.217  1.0
  Zn  Zn5  1  0.750  0.937  0.783  1.0
  I  I6  1  0.250  0.196  0.938  1.0
  I  I7  1  0.999  0.735  0.711  1.0
  I  I8  1  0.501  0.735  0.711  1.0
  I  I9  1  0.499  0.265  0.289  1.0
  I  I10  1  0.001  0.265  0.289  1.0
  I  I11  1  0.750  0.804  0.062  1.0
[/CIF]
.