The compound described by Rb2AgBr3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one Br(3), two equivalent Br(1), and four equivalent Br(2) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one Br(2), three equivalent Br(1), and three equivalent Br(3) atoms. Ag(1) is bonded to one Br(1), one Br(2), and two equivalent Br(3) atoms to form corner-sharing AgBr4 tetrahedra. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent Rb(1), three equivalent Rb(2), and one Ag(1) atom to form a mixture of distorted face, corner, and edge-sharing BrRb5Ag octahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the second Br site, Br(2) is bonded to one Rb(2), four equivalent Rb(1), and one Ag(1) atom to form a mixture of face, corner, and edge-sharing BrRb5Ag octahedra. The corner-sharing octahedral tilt angles range from 24-56°. In the third Br site, Br(3) is bonded in a 6-coordinate geometry to one Rb(1), three equivalent Rb(2), and two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_Rb2AgBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.677
_cell_length_b   9.649
_cell_length_c   18.757
_cell_angle_alpha   90.011
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   846.462
_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  0.750  0.921  0.713  1.0
  Rb  Rb1  1  0.750  0.253  0.042  1.0
  Rb  Rb2  1  0.750  0.421  0.787  1.0
  Rb  Rb3  1  0.250  0.579  0.213  1.0
  Rb  Rb4  1  0.250  0.747  0.958  1.0
  Rb  Rb5  1  0.750  0.753  0.458  1.0
  Rb  Rb6  1  0.250  0.247  0.542  1.0
  Rb  Rb7  1  0.250  0.079  0.287  1.0
  Ag  Ag8  1  0.250  0.128  0.866  1.0
  Ag  Ag9  1  0.750  0.372  0.366  1.0
  Ag  Ag10  1  0.750  0.872  0.134  1.0
  Ag  Ag11  1  0.250  0.628  0.634  1.0
  Br  Br12  1  0.750  0.120  0.428  1.0
  Br  Br13  1  0.250  0.185  0.724  1.0
  Br  Br14  1  0.250  0.380  0.928  1.0
  Br  Br15  1  0.250  0.002  0.099  1.0
  Br  Br16  1  0.750  0.498  0.599  1.0
  Br  Br17  1  0.750  0.315  0.224  1.0
  Br  Br18  1  0.250  0.502  0.401  1.0
  Br  Br19  1  0.750  0.998  0.901  1.0
  Br  Br20  1  0.250  0.880  0.572  1.0
  Br  Br21  1  0.250  0.685  0.776  1.0
  Br  Br22  1  0.750  0.620  0.072  1.0
  Br  Br23  1  0.750  0.815  0.276  1.0
[/CIF]
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The compound described by Rb2AgBr3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one Br(3), two equivalent Br(1), and four equivalent Br(2) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one Br(2), three equivalent Br(1), and three equivalent Br(3) atoms. Ag(1) is bonded to one Br(1), one Br(2), and two equivalent Br(3) atoms to form corner-sharing AgBr4 tetrahedra. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent Rb(1), three equivalent Rb(2), and one Ag(1) atom to form a mixture of distorted face, corner, and edge-sharing BrRb5Ag octahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the second Br site, Br(2) is bonded to one Rb(2), four equivalent Rb(1), and one Ag(1) atom to form a mixture of face, corner, and edge-sharing BrRb5Ag octahedra. The corner-sharing octahedral tilt angles range from 24-56°. In the third Br site, Br(3) is bonded in a 6-coordinate geometry to one Rb(1), three equivalent Rb(2), and two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_Rb2AgBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.677
_cell_length_b   9.649
_cell_length_c   18.757
_cell_angle_alpha   90.011
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   846.462
_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  0.750  0.921  0.713  1.0
  Rb  Rb1  1  0.750  0.253  0.042  1.0
  Rb  Rb2  1  0.750  0.421  0.787  1.0
  Rb  Rb3  1  0.250  0.579  0.213  1.0
  Rb  Rb4  1  0.250  0.747  0.958  1.0
  Rb  Rb5  1  0.750  0.753  0.458  1.0
  Rb  Rb6  1  0.250  0.247  0.542  1.0
  Rb  Rb7  1  0.250  0.079  0.287  1.0
  Ag  Ag8  1  0.250  0.128  0.866  1.0
  Ag  Ag9  1  0.750  0.372  0.366  1.0
  Ag  Ag10  1  0.750  0.872  0.134  1.0
  Ag  Ag11  1  0.250  0.628  0.634  1.0
  Br  Br12  1  0.750  0.120  0.428  1.0
  Br  Br13  1  0.250  0.185  0.724  1.0
  Br  Br14  1  0.250  0.380  0.928  1.0
  Br  Br15  1  0.250  0.002  0.099  1.0
  Br  Br16  1  0.750  0.498  0.599  1.0
  Br  Br17  1  0.750  0.315  0.224  1.0
  Br  Br18  1  0.250  0.502  0.401  1.0
  Br  Br19  1  0.750  0.998  0.901  1.0
  Br  Br20  1  0.250  0.880  0.572  1.0
  Br  Br21  1  0.250  0.685  0.776  1.0
  Br  Br22  1  0.750  0.620  0.072  1.0
  Br  Br23  1  0.750  0.815  0.276  1.0
[/CIF]
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