The crystal structure described by Rb2ZnCl3 crystallizes in the monoclinic Pc space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to one Zn(1), one Cl(1), one Cl(2), one Cl(3), and two equivalent Cl(5) atoms. In the second Rb site, Rb(2) is bonded in a 3-coordinate geometry to one Cl(1), one Cl(4), and one Cl(5) atom. In the third Rb site, Rb(3) is bonded in a 5-coordinate geometry to one Zn(1), one Cl(5), one Cl(6), and two equivalent Cl(3) atoms. In the fourth Rb site, Rb(4) is bonded in a 5-coordinate geometry to one Cl(1), one Cl(3), one Cl(4), and two equivalent Cl(6) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one Rb(1) and one Rb(3) atom. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one Cl(1), one Cl(2), one Cl(4), and one Cl(6) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), one Rb(4), and one Zn(2) atom. In the second Cl site, Cl(2) is bonded in a 1-coordinate geometry to one Rb(1) and one Zn(2) atom. In the third Cl site, Cl(3) is bonded to one Rb(1), one Rb(4), and two equivalent Rb(3) atoms to form distorted corner-sharing ClRb4 tetrahedra. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Rb(2), one Rb(4), and one Zn(2) atom. In the fifth Cl site, Cl(5) is bonded in a 4-coordinate geometry to one Rb(2), one Rb(3), and two equivalent Rb(1) atoms. In the sixth Cl site, Cl(6) is bonded in a distorted single-bond geometry to one Rb(3), two equivalent Rb(4), and one Zn(2) atom. is represented by the CIF card [CIF]
data_Rb2ZnCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.518
_cell_length_b   9.126
_cell_length_c   11.760
_cell_angle_alpha   82.415
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1012.628
_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  0.471  0.649  0.541  1.0
  Rb  Rb1  1  0.096  0.742  0.818  1.0
  Rb  Rb2  1  0.529  0.649  0.041  1.0
  Rb  Rb3  1  0.904  0.742  0.318  1.0
  Rb  Rb4  1  0.471  0.193  0.228  1.0
  Rb  Rb5  1  0.529  0.193  0.728  1.0
  Rb  Rb6  1  0.868  0.231  0.961  1.0
  Rb  Rb7  1  0.132  0.231  0.461  1.0
  Zn  Zn8  1  0.731  0.860  0.809  1.0
  Zn  Zn9  1  0.269  0.860  0.309  1.0
  Zn  Zn10  1  0.029  0.437  0.177  1.0
  Zn  Zn11  1  0.971  0.437  0.677  1.0
  Cl  Cl12  1  0.897  0.581  0.040  1.0
  Cl  Cl13  1  0.226  0.576  0.198  1.0
  Cl  Cl14  1  0.103  0.581  0.540  1.0
  Cl  Cl15  1  0.774  0.576  0.698  1.0
  Cl  Cl16  1  0.553  0.318  0.973  1.0
  Cl  Cl17  1  0.872  0.396  0.327  1.0
  Cl  Cl18  1  0.447  0.318  0.473  1.0
  Cl  Cl19  1  0.128  0.396  0.827  1.0
  Cl  Cl20  1  0.412  0.846  0.768  1.0
  Cl  Cl21  1  0.588  0.846  0.268  1.0
  Cl  Cl22  1  0.895  0.199  0.664  1.0
  Cl  Cl23  1  0.105  0.199  0.164  1.0
[/CIF]
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The crystal structure described by Rb2ZnCl3 crystallizes in the monoclinic Pc space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to one Zn(1), one Cl(1), one Cl(2), one Cl(3), and two equivalent Cl(5) atoms. In the second Rb site, Rb(2) is bonded in a 3-coordinate geometry to one Cl(1), one Cl(4), and one Cl(5) atom. In the third Rb site, Rb(3) is bonded in a 5-coordinate geometry to one Zn(1), one Cl(5), one Cl(6), and two equivalent Cl(3) atoms. In the fourth Rb site, Rb(4) is bonded in a 5-coordinate geometry to one Cl(1), one Cl(3), one Cl(4), and two equivalent Cl(6) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one Rb(1) and one Rb(3) atom. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one Cl(1), one Cl(2), one Cl(4), and one Cl(6) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), one Rb(4), and one Zn(2) atom. In the second Cl site, Cl(2) is bonded in a 1-coordinate geometry to one Rb(1) and one Zn(2) atom. In the third Cl site, Cl(3) is bonded to one Rb(1), one Rb(4), and two equivalent Rb(3) atoms to form distorted corner-sharing ClRb4 tetrahedra. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Rb(2), one Rb(4), and one Zn(2) atom. In the fifth Cl site, Cl(5) is bonded in a 4-coordinate geometry to one Rb(2), one Rb(3), and two equivalent Rb(1) atoms. In the sixth Cl site, Cl(6) is bonded in a distorted single-bond geometry to one Rb(3), two equivalent Rb(4), and one Zn(2) atom. is represented by the CIF card [CIF]
data_Rb2ZnCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.518
_cell_length_b   9.126
_cell_length_c   11.760
_cell_angle_alpha   82.415
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1012.628
_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  0.471  0.649  0.541  1.0
  Rb  Rb1  1  0.096  0.742  0.818  1.0
  Rb  Rb2  1  0.529  0.649  0.041  1.0
  Rb  Rb3  1  0.904  0.742  0.318  1.0
  Rb  Rb4  1  0.471  0.193  0.228  1.0
  Rb  Rb5  1  0.529  0.193  0.728  1.0
  Rb  Rb6  1  0.868  0.231  0.961  1.0
  Rb  Rb7  1  0.132  0.231  0.461  1.0
  Zn  Zn8  1  0.731  0.860  0.809  1.0
  Zn  Zn9  1  0.269  0.860  0.309  1.0
  Zn  Zn10  1  0.029  0.437  0.177  1.0
  Zn  Zn11  1  0.971  0.437  0.677  1.0
  Cl  Cl12  1  0.897  0.581  0.040  1.0
  Cl  Cl13  1  0.226  0.576  0.198  1.0
  Cl  Cl14  1  0.103  0.581  0.540  1.0
  Cl  Cl15  1  0.774  0.576  0.698  1.0
  Cl  Cl16  1  0.553  0.318  0.973  1.0
  Cl  Cl17  1  0.872  0.396  0.327  1.0
  Cl  Cl18  1  0.447  0.318  0.473  1.0
  Cl  Cl19  1  0.128  0.396  0.827  1.0
  Cl  Cl20  1  0.412  0.846  0.768  1.0
  Cl  Cl21  1  0.588  0.846  0.268  1.0
  Cl  Cl22  1  0.895  0.199  0.664  1.0
  Cl  Cl23  1  0.105  0.199  0.164  1.0
[/CIF]
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