The material described by RbYbBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent Br(2) and six equivalent Br(1) atoms. Yb(1) is bonded to two equivalent Br(2) and four equivalent Br(1) atoms to form corner-sharing YbBr6 octahedra. The corner-sharing octahedral tilt angles range from 24-27°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to three equivalent Rb(1) and two equivalent Yb(1) atoms. In the second Br site, Br(2) is bonded in a distorted square co-planar geometry to two equivalent Rb(1) and two equivalent Yb(1) atoms. is represented by the CIF file [CIF]
data_RbYbBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.720
_cell_length_b   7.965
_cell_length_c   11.114
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   683.409
_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  0.483  0.560  0.750  1.0
  Rb  Rb1  1  0.517  0.440  0.250  1.0
  Rb  Rb2  1  0.983  0.940  0.250  1.0
  Rb  Rb3  1  0.017  0.060  0.750  1.0
  Yb  Yb4  1  0.500  0.000  0.500  1.0
  Yb  Yb5  1  0.500  0.000  0.000  1.0
  Yb  Yb6  1  0.000  0.500  0.500  1.0
  Yb  Yb7  1  0.000  0.500  0.000  1.0
  Br  Br8  1  0.298  0.296  0.962  1.0
  Br  Br9  1  0.425  0.013  0.250  1.0
  Br  Br10  1  0.575  0.987  0.750  1.0
  Br  Br11  1  0.075  0.513  0.250  1.0
  Br  Br12  1  0.702  0.704  0.038  1.0
  Br  Br13  1  0.798  0.204  0.038  1.0
  Br  Br14  1  0.925  0.487  0.750  1.0
  Br  Br15  1  0.202  0.796  0.538  1.0
  Br  Br16  1  0.702  0.704  0.462  1.0
  Br  Br17  1  0.798  0.204  0.462  1.0
  Br  Br18  1  0.298  0.296  0.538  1.0
  Br  Br19  1  0.202  0.796  0.962  1.0
[/CIF]
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The material described by RbYbBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent Br(2) and six equivalent Br(1) atoms. Yb(1) is bonded to two equivalent Br(2) and four equivalent Br(1) atoms to form corner-sharing YbBr6 octahedra. The corner-sharing octahedral tilt angles range from 24-27°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to three equivalent Rb(1) and two equivalent Yb(1) atoms. In the second Br site, Br(2) is bonded in a distorted square co-planar geometry to two equivalent Rb(1) and two equivalent Yb(1) atoms. is represented by the CIF file [CIF]
data_RbYbBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.720
_cell_length_b   7.965
_cell_length_c   11.114
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   683.409
_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  0.483  0.560  0.750  1.0
  Rb  Rb1  1  0.517  0.440  0.250  1.0
  Rb  Rb2  1  0.983  0.940  0.250  1.0
  Rb  Rb3  1  0.017  0.060  0.750  1.0
  Yb  Yb4  1  0.500  0.000  0.500  1.0
  Yb  Yb5  1  0.500  0.000  0.000  1.0
  Yb  Yb6  1  0.000  0.500  0.500  1.0
  Yb  Yb7  1  0.000  0.500  0.000  1.0
  Br  Br8  1  0.298  0.296  0.962  1.0
  Br  Br9  1  0.425  0.013  0.250  1.0
  Br  Br10  1  0.575  0.987  0.750  1.0
  Br  Br11  1  0.075  0.513  0.250  1.0
  Br  Br12  1  0.702  0.704  0.038  1.0
  Br  Br13  1  0.798  0.204  0.038  1.0
  Br  Br14  1  0.925  0.487  0.750  1.0
  Br  Br15  1  0.202  0.796  0.538  1.0
  Br  Br16  1  0.702  0.704  0.462  1.0
  Br  Br17  1  0.798  0.204  0.462  1.0
  Br  Br18  1  0.298  0.296  0.538  1.0
  Br  Br19  1  0.202  0.796  0.962  1.0
[/CIF]
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