The material structure described by Rb2ZnI4 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one I(4), two equivalent I(1), two equivalent I(2), and three equivalent I(3) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one I(3), two equivalent I(1), two equivalent I(2), and three equivalent I(4) atoms. Zn(1) is bonded in a tetrahedral geometry to one I(1), one I(2), one I(3), and one I(4) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Zn(1) atom. In the second I site, I(2) is bonded to two equivalent Rb(1), two equivalent Rb(2), and one Zn(1) atom to form distorted corner-sharing IRb4Zn square pyramids. In the third I site, I(3) is bonded in a 1-coordinate geometry to one Rb(2), three equivalent Rb(1), and one Zn(1) atom. In the fourth I site, I(4) is bonded in a 1-coordinate geometry to one Rb(1), three equivalent Rb(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_Rb2ZnI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.729
_cell_length_b   8.253
_cell_length_c   10.414
_cell_angle_alpha   90.000
_cell_angle_beta   109.616
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   625.705
_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  0.748  0.962  1.0
  Rb  Rb1  1  0.695  0.248  0.038  1.0
  Rb  Rb2  1  0.207  0.747  0.416  1.0
  Rb  Rb3  1  0.793  0.247  0.584  1.0
  Zn  Zn4  1  0.699  0.756  0.785  1.0
  Zn  Zn5  1  0.301  0.256  0.215  1.0
  I  I6  1  0.486  0.500  0.723  1.0
  I  I7  1  0.514  0.000  0.277  1.0
  I  I8  1  0.523  0.505  0.279  1.0
  I  I9  1  0.477  0.005  0.721  1.0
  I  I10  1  0.868  0.760  0.050  1.0
  I  I11  1  0.132  0.260  0.950  1.0
  I  I12  1  0.920  0.758  0.643  1.0
  I  I13  1  0.080  0.258  0.357  1.0
[/CIF]
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The material structure described by Rb2ZnI4 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one I(4), two equivalent I(1), two equivalent I(2), and three equivalent I(3) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one I(3), two equivalent I(1), two equivalent I(2), and three equivalent I(4) atoms. Zn(1) is bonded in a tetrahedral geometry to one I(1), one I(2), one I(3), and one I(4) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Zn(1) atom. In the second I site, I(2) is bonded to two equivalent Rb(1), two equivalent Rb(2), and one Zn(1) atom to form distorted corner-sharing IRb4Zn square pyramids. In the third I site, I(3) is bonded in a 1-coordinate geometry to one Rb(2), three equivalent Rb(1), and one Zn(1) atom. In the fourth I site, I(4) is bonded in a 1-coordinate geometry to one Rb(1), three equivalent Rb(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_Rb2ZnI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.729
_cell_length_b   8.253
_cell_length_c   10.414
_cell_angle_alpha   90.000
_cell_angle_beta   109.616
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   625.705
_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  0.748  0.962  1.0
  Rb  Rb1  1  0.695  0.248  0.038  1.0
  Rb  Rb2  1  0.207  0.747  0.416  1.0
  Rb  Rb3  1  0.793  0.247  0.584  1.0
  Zn  Zn4  1  0.699  0.756  0.785  1.0
  Zn  Zn5  1  0.301  0.256  0.215  1.0
  I  I6  1  0.486  0.500  0.723  1.0
  I  I7  1  0.514  0.000  0.277  1.0
  I  I8  1  0.523  0.505  0.279  1.0
  I  I9  1  0.477  0.005  0.721  1.0
  I  I10  1  0.868  0.760  0.050  1.0
  I  I11  1  0.132  0.260  0.950  1.0
  I  I12  1  0.920  0.758  0.643  1.0
  I  I13  1  0.080  0.258  0.357  1.0
[/CIF]
.