The compound described by Rb2ZnBr4 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to two equivalent Br(1), two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one Br(1), two equivalent Br(3), two equivalent Br(4), and three equivalent Br(2) atoms. Zn(1) is bonded in a tetrahedral geometry to one Br(1), one Br(2), one Br(3), and one Br(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a 1-coordinate geometry to one Rb(2), two equivalent Rb(1), and one Zn(1) atom. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), three equivalent Rb(2), and one Zn(1) atom. In the third Br site, Br(3) is bonded in a 1-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Zn(1) atom. In the fourth Br site, Br(4) 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_Rb2ZnBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.638
_cell_length_b   9.740
_cell_length_c   13.434
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   999.488
_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  0.256  0.017  0.175  1.0
  Rb  Rb1  1  0.756  0.983  0.825  1.0
  Rb  Rb2  1  0.756  0.483  0.675  1.0
  Rb  Rb3  1  0.256  0.517  0.325  1.0
  Rb  Rb4  1  0.257  0.378  0.916  1.0
  Rb  Rb5  1  0.757  0.622  0.084  1.0
  Rb  Rb6  1  0.757  0.122  0.416  1.0
  Rb  Rb7  1  0.257  0.878  0.584  1.0
  Zn  Zn8  1  0.249  0.777  0.922  1.0
  Zn  Zn9  1  0.749  0.223  0.078  1.0
  Zn  Zn10  1  0.749  0.723  0.422  1.0
  Zn  Zn11  1  0.249  0.277  0.578  1.0
  Br  Br12  1  0.236  0.022  0.915  1.0
  Br  Br13  1  0.736  0.978  0.085  1.0
  Br  Br14  1  0.736  0.478  0.415  1.0
  Br  Br15  1  0.236  0.522  0.585  1.0
  Br  Br16  1  0.266  0.683  0.089  1.0
  Br  Br17  1  0.766  0.317  0.911  1.0
  Br  Br18  1  0.766  0.817  0.589  1.0
  Br  Br19  1  0.266  0.183  0.411  1.0
  Br  Br20  1  0.497  0.687  0.834  1.0
  Br  Br21  1  0.997  0.313  0.166  1.0
  Br  Br22  1  0.997  0.813  0.334  1.0
  Br  Br23  1  0.497  0.187  0.666  1.0
  Br  Br24  1  0.989  0.677  0.851  1.0
  Br  Br25  1  0.489  0.323  0.149  1.0
  Br  Br26  1  0.489  0.823  0.351  1.0
  Br  Br27  1  0.989  0.177  0.649  1.0
[/CIF]
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The compound described by Rb2ZnBr4 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to two equivalent Br(1), two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one Br(1), two equivalent Br(3), two equivalent Br(4), and three equivalent Br(2) atoms. Zn(1) is bonded in a tetrahedral geometry to one Br(1), one Br(2), one Br(3), and one Br(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a 1-coordinate geometry to one Rb(2), two equivalent Rb(1), and one Zn(1) atom. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), three equivalent Rb(2), and one Zn(1) atom. In the third Br site, Br(3) is bonded in a 1-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Zn(1) atom. In the fourth Br site, Br(4) 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_Rb2ZnBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.638
_cell_length_b   9.740
_cell_length_c   13.434
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   999.488
_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  0.256  0.017  0.175  1.0
  Rb  Rb1  1  0.756  0.983  0.825  1.0
  Rb  Rb2  1  0.756  0.483  0.675  1.0
  Rb  Rb3  1  0.256  0.517  0.325  1.0
  Rb  Rb4  1  0.257  0.378  0.916  1.0
  Rb  Rb5  1  0.757  0.622  0.084  1.0
  Rb  Rb6  1  0.757  0.122  0.416  1.0
  Rb  Rb7  1  0.257  0.878  0.584  1.0
  Zn  Zn8  1  0.249  0.777  0.922  1.0
  Zn  Zn9  1  0.749  0.223  0.078  1.0
  Zn  Zn10  1  0.749  0.723  0.422  1.0
  Zn  Zn11  1  0.249  0.277  0.578  1.0
  Br  Br12  1  0.236  0.022  0.915  1.0
  Br  Br13  1  0.736  0.978  0.085  1.0
  Br  Br14  1  0.736  0.478  0.415  1.0
  Br  Br15  1  0.236  0.522  0.585  1.0
  Br  Br16  1  0.266  0.683  0.089  1.0
  Br  Br17  1  0.766  0.317  0.911  1.0
  Br  Br18  1  0.766  0.817  0.589  1.0
  Br  Br19  1  0.266  0.183  0.411  1.0
  Br  Br20  1  0.497  0.687  0.834  1.0
  Br  Br21  1  0.997  0.313  0.166  1.0
  Br  Br22  1  0.997  0.813  0.334  1.0
  Br  Br23  1  0.497  0.187  0.666  1.0
  Br  Br24  1  0.989  0.677  0.851  1.0
  Br  Br25  1  0.489  0.323  0.149  1.0
  Br  Br26  1  0.489  0.823  0.351  1.0
  Br  Br27  1  0.989  0.177  0.649  1.0
[/CIF]
.