The material described by RbPdC4Br crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded in a rectangular see-saw-like geometry to four equivalent Br(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent C(1) and two equivalent Br(1) atoms to form corner-sharing PdC4Br2 octahedra. The corner-sharing octahedra are not tilted. In the second Pd site, Pd(2) is bonded to four equivalent C(2) and two Br(1,1) atoms to form corner-sharing PdC4Br2 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Pd(1) and one C(2) atom. In the second C site, C(2) is bonded in a linear geometry to one Pd(2) and one C(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to four equivalent Rb(1), one Pd(1), and one Pd(2) atom to form a mixture of edge and corner-sharing BrRb4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Br site, Br(1) is bonded to four equivalent Rb(1), one Pd(1), and one Pd(2) atom to form a mixture of edge and corner-sharing BrRb4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF file [CIF]
data_RbPdC4Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.264
_cell_length_b   5.264
_cell_length_c   5.390
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.370
_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
  Br  Br0  1  0.000  0.000  0.500  1.0
  C  C1  1  0.381  0.000  0.000  1.0
  C  C2  1  0.619  0.000  1.000  1.0
  C  C3  1  1.000  0.381  1.000  1.0
  C  C4  1  1.000  0.619  1.000  1.0
  Pd  Pd5  1  0.000  0.000  0.000  1.0
  Rb  Rb6  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by RbPdC4Br crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded in a rectangular see-saw-like geometry to four equivalent Br(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent C(1) and two equivalent Br(1) atoms to form corner-sharing PdC4Br2 octahedra. The corner-sharing octahedra are not tilted. In the second Pd site, Pd(2) is bonded to four equivalent C(2) and two Br(1,1) atoms to form corner-sharing PdC4Br2 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Pd(1) and one C(2) atom. In the second C site, C(2) is bonded in a linear geometry to one Pd(2) and one C(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to four equivalent Rb(1), one Pd(1), and one Pd(2) atom to form a mixture of edge and corner-sharing BrRb4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Br site, Br(1) is bonded to four equivalent Rb(1), one Pd(1), and one Pd(2) atom to form a mixture of edge and corner-sharing BrRb4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF file [CIF]
data_RbPdC4Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.264
_cell_length_b   5.264
_cell_length_c   5.390
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.370
_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
  Br  Br0  1  0.000  0.000  0.500  1.0
  C  C1  1  0.381  0.000  0.000  1.0
  C  C2  1  0.619  0.000  1.000  1.0
  C  C3  1  1.000  0.381  1.000  1.0
  C  C4  1  1.000  0.619  1.000  1.0
  Pd  Pd5  1  0.000  0.000  0.000  1.0
  Rb  Rb6  1  0.500  0.500  0.500  1.0
[/CIF]
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