The material described by CsAgBr2 crystallizes in the tetragonal P4/nmm space group. Cs(1) is bonded in a 5-coordinate geometry to five equivalent Br(2) atoms. Ag(1) is bonded in a 5-coordinate geometry to one Br(2) and four equivalent Br(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to four equivalent Ag(1) atoms. In the second Br site, Br(2) is bonded to five equivalent Cs(1) and one Ag(1) atom to form a mixture of distorted edge and corner-sharing BrCs5Ag octahedra. The corner-sharing octahedral tilt angles are 20°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsAgBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.307
_cell_length_b   5.307
_cell_length_c   10.237
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   288.324
_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
  Cs  Cs0  1  0.250  0.250  0.709  1.0
  Cs  Cs1  1  0.750  0.750  0.291  1.0
  Ag  Ag2  1  0.250  0.250  0.099  1.0
  Ag  Ag3  1  0.750  0.750  0.901  1.0
  Br  Br4  1  0.750  0.250  0.000  1.0
  Br  Br5  1  0.250  0.250  0.357  1.0
  Br  Br6  1  0.750  0.750  0.643  1.0
  Br  Br7  1  0.250  0.750  0.000  1.0
[/CIF]
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The material described by CsAgBr2 crystallizes in the tetragonal P4/nmm space group. Cs(1) is bonded in a 5-coordinate geometry to five equivalent Br(2) atoms. Ag(1) is bonded in a 5-coordinate geometry to one Br(2) and four equivalent Br(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to four equivalent Ag(1) atoms. In the second Br site, Br(2) is bonded to five equivalent Cs(1) and one Ag(1) atom to form a mixture of distorted edge and corner-sharing BrCs5Ag octahedra. The corner-sharing octahedral tilt angles are 20°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsAgBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.307
_cell_length_b   5.307
_cell_length_c   10.237
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   288.324
_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
  Cs  Cs0  1  0.250  0.250  0.709  1.0
  Cs  Cs1  1  0.750  0.750  0.291  1.0
  Ag  Ag2  1  0.250  0.250  0.099  1.0
  Ag  Ag3  1  0.750  0.750  0.901  1.0
  Br  Br4  1  0.750  0.250  0.000  1.0
  Br  Br5  1  0.250  0.250  0.357  1.0
  Br  Br6  1  0.750  0.750  0.643  1.0
  Br  Br7  1  0.250  0.750  0.000  1.0
[/CIF]
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