The material structure described by Cs2ZnBr4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one Br(1), two equivalent Br(2), and four equivalent Br(3) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to two equivalent Br(2), three equivalent Br(1), and four equivalent Br(3) atoms. Zn(1) is bonded in a tetrahedral geometry to one Br(1), one Br(2), and two equivalent Br(3) atoms. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Cs(1), three equivalent Cs(2), and one Zn(1) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Zn(1) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2ZnBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.762
_cell_length_b   10.270
_cell_length_c   13.575
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1082.178
_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
  Cs  Cs0  1  0.250  0.135  0.901  1.0
  Cs  Cs1  1  0.250  0.635  0.599  1.0
  Cs  Cs2  1  0.750  0.865  0.099  1.0
  Cs  Cs3  1  0.750  0.365  0.401  1.0
  Cs  Cs4  1  0.250  0.976  0.330  1.0
  Cs  Cs5  1  0.250  0.476  0.170  1.0
  Cs  Cs6  1  0.750  0.024  0.670  1.0
  Cs  Cs7  1  0.750  0.524  0.830  1.0
  Zn  Zn8  1  0.250  0.236  0.578  1.0
  Zn  Zn9  1  0.250  0.736  0.922  1.0
  Zn  Zn10  1  0.750  0.764  0.422  1.0
  Zn  Zn11  1  0.750  0.264  0.078  1.0
  Br  Br12  1  0.250  0.003  0.600  1.0
  Br  Br13  1  0.250  0.503  0.900  1.0
  Br  Br14  1  0.750  0.997  0.400  1.0
  Br  Br15  1  0.750  0.497  0.100  1.0
  Br  Br16  1  0.250  0.311  0.409  1.0
  Br  Br17  1  0.250  0.811  0.091  1.0
  Br  Br18  1  0.750  0.689  0.591  1.0
  Br  Br19  1  0.750  0.189  0.909  1.0
  Br  Br20  1  0.503  0.328  0.653  1.0
  Br  Br21  1  0.997  0.828  0.847  1.0
  Br  Br22  1  0.003  0.672  0.347  1.0
  Br  Br23  1  0.497  0.172  0.153  1.0
  Br  Br24  1  0.497  0.672  0.347  1.0
  Br  Br25  1  0.003  0.172  0.153  1.0
  Br  Br26  1  0.997  0.328  0.653  1.0
  Br  Br27  1  0.503  0.828  0.847  1.0
[/CIF]
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The material structure described by Cs2ZnBr4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one Br(1), two equivalent Br(2), and four equivalent Br(3) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to two equivalent Br(2), three equivalent Br(1), and four equivalent Br(3) atoms. Zn(1) is bonded in a tetrahedral geometry to one Br(1), one Br(2), and two equivalent Br(3) atoms. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Cs(1), three equivalent Cs(2), and one Zn(1) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Zn(1) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2ZnBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.762
_cell_length_b   10.270
_cell_length_c   13.575
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1082.178
_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
  Cs  Cs0  1  0.250  0.135  0.901  1.0
  Cs  Cs1  1  0.250  0.635  0.599  1.0
  Cs  Cs2  1  0.750  0.865  0.099  1.0
  Cs  Cs3  1  0.750  0.365  0.401  1.0
  Cs  Cs4  1  0.250  0.976  0.330  1.0
  Cs  Cs5  1  0.250  0.476  0.170  1.0
  Cs  Cs6  1  0.750  0.024  0.670  1.0
  Cs  Cs7  1  0.750  0.524  0.830  1.0
  Zn  Zn8  1  0.250  0.236  0.578  1.0
  Zn  Zn9  1  0.250  0.736  0.922  1.0
  Zn  Zn10  1  0.750  0.764  0.422  1.0
  Zn  Zn11  1  0.750  0.264  0.078  1.0
  Br  Br12  1  0.250  0.003  0.600  1.0
  Br  Br13  1  0.250  0.503  0.900  1.0
  Br  Br14  1  0.750  0.997  0.400  1.0
  Br  Br15  1  0.750  0.497  0.100  1.0
  Br  Br16  1  0.250  0.311  0.409  1.0
  Br  Br17  1  0.250  0.811  0.091  1.0
  Br  Br18  1  0.750  0.689  0.591  1.0
  Br  Br19  1  0.750  0.189  0.909  1.0
  Br  Br20  1  0.503  0.328  0.653  1.0
  Br  Br21  1  0.997  0.828  0.847  1.0
  Br  Br22  1  0.003  0.672  0.347  1.0
  Br  Br23  1  0.497  0.172  0.153  1.0
  Br  Br24  1  0.497  0.672  0.347  1.0
  Br  Br25  1  0.003  0.172  0.153  1.0
  Br  Br26  1  0.997  0.328  0.653  1.0
  Br  Br27  1  0.503  0.828  0.847  1.0
[/CIF]
.