The compound described by CsRb2PdF5 crystallizes in the tetragonal P4/mbm space group. Cs(1) is bonded in a distorted q6 geometry to two equivalent F(2) and eight equivalent F(1) atoms. Rb(1) is bonded in a 8-coordinate geometry to two equivalent F(2) and six equivalent F(1) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), three equivalent Rb(1), and one Pd(1) atom. In the second F site, F(2) is bonded to two equivalent Cs(1) and four equivalent Rb(1) atoms to form corner-sharing FCs2Rb4 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. is represented by the CIF file [CIF]
data_CsRb2PdF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.741
_cell_length_b   7.741
_cell_length_c   6.542
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   391.992
_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  0.500  0.500  0.000  1.0
  Cs  Cs1  1  0.000  0.000  0.000  1.0
  Rb  Rb2  1  0.178  0.322  0.500  1.0
  Rb  Rb3  1  0.678  0.178  0.500  1.0
  Rb  Rb4  1  0.822  0.678  0.500  1.0
  Rb  Rb5  1  0.322  0.822  0.500  1.0
  Pd  Pd6  1  0.000  0.500  0.000  1.0
  Pd  Pd7  1  0.500  0.000  0.000  1.0
  F  F8  1  0.129  0.629  0.784  1.0
  F  F9  1  0.871  0.371  0.784  1.0
  F  F10  1  0.371  0.129  0.784  1.0
  F  F11  1  0.629  0.871  0.784  1.0
  F  F12  1  0.129  0.629  0.216  1.0
  F  F13  1  0.629  0.871  0.216  1.0
  F  F14  1  0.371  0.129  0.216  1.0
  F  F15  1  0.871  0.371  0.216  1.0
  F  F16  1  0.000  0.000  0.500  1.0
  F  F17  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by CsRb2PdF5 crystallizes in the tetragonal P4/mbm space group. Cs(1) is bonded in a distorted q6 geometry to two equivalent F(2) and eight equivalent F(1) atoms. Rb(1) is bonded in a 8-coordinate geometry to two equivalent F(2) and six equivalent F(1) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), three equivalent Rb(1), and one Pd(1) atom. In the second F site, F(2) is bonded to two equivalent Cs(1) and four equivalent Rb(1) atoms to form corner-sharing FCs2Rb4 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. is represented by the CIF file [CIF]
data_CsRb2PdF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.741
_cell_length_b   7.741
_cell_length_c   6.542
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   391.992
_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  0.500  0.500  0.000  1.0
  Cs  Cs1  1  0.000  0.000  0.000  1.0
  Rb  Rb2  1  0.178  0.322  0.500  1.0
  Rb  Rb3  1  0.678  0.178  0.500  1.0
  Rb  Rb4  1  0.822  0.678  0.500  1.0
  Rb  Rb5  1  0.322  0.822  0.500  1.0
  Pd  Pd6  1  0.000  0.500  0.000  1.0
  Pd  Pd7  1  0.500  0.000  0.000  1.0
  F  F8  1  0.129  0.629  0.784  1.0
  F  F9  1  0.871  0.371  0.784  1.0
  F  F10  1  0.371  0.129  0.784  1.0
  F  F11  1  0.629  0.871  0.784  1.0
  F  F12  1  0.129  0.629  0.216  1.0
  F  F13  1  0.629  0.871  0.216  1.0
  F  F14  1  0.371  0.129  0.216  1.0
  F  F15  1  0.871  0.371  0.216  1.0
  F  F16  1  0.000  0.000  0.500  1.0
  F  F17  1  0.500  0.500  0.500  1.0
[/CIF]
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