The material described by RbInBr3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Cm space group. Rb(1) is bonded to four equivalent Br(2) and eight equivalent Br(1) atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with eight equivalent In(1)Br6 octahedra. In(1) is bonded to two equivalent Br(2) and four equivalent Br(1) atoms to form InBr6 octahedra that share corners with six equivalent In(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-3°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted linear geometry to four equivalent Rb(1) and two equivalent In(1) atoms. In the second Br site, Br(2) is bonded in a distorted linear geometry to four equivalent Rb(1) and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_RbInBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.736
_cell_length_b   5.736
_cell_length_c   5.734
_cell_angle_alpha   89.926
_cell_angle_beta   89.926
_cell_angle_gamma   90.072
_symmetry_Int_Tables_number   1
_cell_volume   188.623
_cell_formula_units_Z   1
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  0.999  0.999  0.001  1.0
  In  In1  1  0.496  0.496  0.517  1.0
  Br  Br2  1  0.999  0.496  0.515  1.0
  Br  Br3  1  0.506  0.506  0.015  1.0
  Br  Br4  1  0.496  0.999  0.515  1.0
[/CIF]
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The material described by RbInBr3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Cm space group. Rb(1) is bonded to four equivalent Br(2) and eight equivalent Br(1) atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with eight equivalent In(1)Br6 octahedra. In(1) is bonded to two equivalent Br(2) and four equivalent Br(1) atoms to form InBr6 octahedra that share corners with six equivalent In(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-3°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted linear geometry to four equivalent Rb(1) and two equivalent In(1) atoms. In the second Br site, Br(2) is bonded in a distorted linear geometry to four equivalent Rb(1) and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_RbInBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.736
_cell_length_b   5.736
_cell_length_c   5.734
_cell_angle_alpha   89.926
_cell_angle_beta   89.926
_cell_angle_gamma   90.072
_symmetry_Int_Tables_number   1
_cell_volume   188.623
_cell_formula_units_Z   1
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  0.999  0.999  0.001  1.0
  In  In1  1  0.496  0.496  0.517  1.0
  Br  Br2  1  0.999  0.496  0.515  1.0
  Br  Br3  1  0.506  0.506  0.015  1.0
  Br  Br4  1  0.496  0.999  0.515  1.0
[/CIF]
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