The material described by Rb2ZnI4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to one I(1), one I(2), and four equivalent I(3) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one I(1), three equivalent I(2), and four equivalent I(3) atoms. Zn(1) is bonded in a tetrahedral geometry to one I(1), one I(2), and two equivalent I(3) atoms. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 1-coordinate geometry to one Rb(1), one Rb(2), and one Zn(1) atom. In the second I site, I(2) is bonded in a 5-coordinate geometry to one Rb(1), three equivalent Rb(2), and one Zn(1) atom. In the third I site, I(3) is bonded to two equivalent Rb(1), two equivalent Rb(2), and one Zn(1) atom to form a mixture of distorted edge, face, and corner-sharing IRb4Zn square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2ZnI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.707
_cell_length_b   8.210
_cell_length_c   10.442
_cell_angle_alpha   90.000
_cell_angle_beta   109.712
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   621.994
_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  0.305  0.750  0.962  1.0
  Rb  Rb1  1  0.695  0.250  0.038  1.0
  Rb  Rb2  1  0.209  0.750  0.417  1.0
  Rb  Rb3  1  0.791  0.250  0.583  1.0
  Zn  Zn4  1  0.699  0.750  0.786  1.0
  Zn  Zn5  1  0.301  0.250  0.214  1.0
  I  I6  1  0.870  0.750  0.051  1.0
  I  I7  1  0.130  0.250  0.949  1.0
  I  I8  1  0.920  0.750  0.643  1.0
  I  I9  1  0.080  0.250  0.357  1.0
  I  I10  1  0.481  0.003  0.723  1.0
  I  I11  1  0.519  0.503  0.277  1.0
  I  I12  1  0.519  0.997  0.277  1.0
  I  I13  1  0.481  0.497  0.723  1.0
[/CIF]
.
The material described by Rb2ZnI4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to one I(1), one I(2), and four equivalent I(3) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one I(1), three equivalent I(2), and four equivalent I(3) atoms. Zn(1) is bonded in a tetrahedral geometry to one I(1), one I(2), and two equivalent I(3) atoms. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 1-coordinate geometry to one Rb(1), one Rb(2), and one Zn(1) atom. In the second I site, I(2) is bonded in a 5-coordinate geometry to one Rb(1), three equivalent Rb(2), and one Zn(1) atom. In the third I site, I(3) is bonded to two equivalent Rb(1), two equivalent Rb(2), and one Zn(1) atom to form a mixture of distorted edge, face, and corner-sharing IRb4Zn square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2ZnI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.707
_cell_length_b   8.210
_cell_length_c   10.442
_cell_angle_alpha   90.000
_cell_angle_beta   109.712
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   621.994
_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  0.305  0.750  0.962  1.0
  Rb  Rb1  1  0.695  0.250  0.038  1.0
  Rb  Rb2  1  0.209  0.750  0.417  1.0
  Rb  Rb3  1  0.791  0.250  0.583  1.0
  Zn  Zn4  1  0.699  0.750  0.786  1.0
  Zn  Zn5  1  0.301  0.250  0.214  1.0
  I  I6  1  0.870  0.750  0.051  1.0
  I  I7  1  0.130  0.250  0.949  1.0
  I  I8  1  0.920  0.750  0.643  1.0
  I  I9  1  0.080  0.250  0.357  1.0
  I  I10  1  0.481  0.003  0.723  1.0
  I  I11  1  0.519  0.503  0.277  1.0
  I  I12  1  0.519  0.997  0.277  1.0
  I  I13  1  0.481  0.497  0.723  1.0
[/CIF]
.