The crystal structure described by Sr3YbRhO6 crystallizes in the trigonal R-3c space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Yb(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Rh(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded to four equivalent Sr(1), one Yb(1), and one Rh(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4YbRh octahedra. The corner-sharing octahedral tilt angles range from 0-64°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3YbRhO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.825
_cell_length_b   6.825
_cell_length_c   6.825
_cell_angle_alpha   91.918
_cell_angle_beta   91.918
_cell_angle_gamma   91.918
_symmetry_Int_Tables_number   1
_cell_volume   317.356
_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
  Sr  Sr0  1  0.385  0.115  0.750  1.0
  Sr  Sr1  1  0.115  0.750  0.385  1.0
  Sr  Sr2  1  0.750  0.385  0.115  1.0
  Sr  Sr3  1  0.615  0.885  0.250  1.0
  Sr  Sr4  1  0.250  0.615  0.885  1.0
  Sr  Sr5  1  0.885  0.250  0.615  1.0
  Yb  Yb6  1  0.250  0.250  0.250  1.0
  Yb  Yb7  1  0.750  0.750  0.750  1.0
  Rh  Rh8  1  0.000  0.000  0.000  1.0
  Rh  Rh9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.083  0.286  0.952  1.0
  O  O11  1  0.952  0.083  0.286  1.0
  O  O12  1  0.286  0.952  0.083  1.0
  O  O13  1  0.417  0.548  0.214  1.0
  O  O14  1  0.214  0.417  0.548  1.0
  O  O15  1  0.548  0.214  0.417  1.0
  O  O16  1  0.917  0.714  0.048  1.0
  O  O17  1  0.048  0.917  0.714  1.0
  O  O18  1  0.714  0.048  0.917  1.0
  O  O19  1  0.583  0.452  0.786  1.0
  O  O20  1  0.452  0.786  0.583  1.0
  O  O21  1  0.786  0.583  0.452  1.0
[/CIF]
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The crystal structure described by Sr3YbRhO6 crystallizes in the trigonal R-3c space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Yb(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Rh(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded to four equivalent Sr(1), one Yb(1), and one Rh(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4YbRh octahedra. The corner-sharing octahedral tilt angles range from 0-64°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3YbRhO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.825
_cell_length_b   6.825
_cell_length_c   6.825
_cell_angle_alpha   91.918
_cell_angle_beta   91.918
_cell_angle_gamma   91.918
_symmetry_Int_Tables_number   1
_cell_volume   317.356
_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
  Sr  Sr0  1  0.385  0.115  0.750  1.0
  Sr  Sr1  1  0.115  0.750  0.385  1.0
  Sr  Sr2  1  0.750  0.385  0.115  1.0
  Sr  Sr3  1  0.615  0.885  0.250  1.0
  Sr  Sr4  1  0.250  0.615  0.885  1.0
  Sr  Sr5  1  0.885  0.250  0.615  1.0
  Yb  Yb6  1  0.250  0.250  0.250  1.0
  Yb  Yb7  1  0.750  0.750  0.750  1.0
  Rh  Rh8  1  0.000  0.000  0.000  1.0
  Rh  Rh9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.083  0.286  0.952  1.0
  O  O11  1  0.952  0.083  0.286  1.0
  O  O12  1  0.286  0.952  0.083  1.0
  O  O13  1  0.417  0.548  0.214  1.0
  O  O14  1  0.214  0.417  0.548  1.0
  O  O15  1  0.548  0.214  0.417  1.0
  O  O16  1  0.917  0.714  0.048  1.0
  O  O17  1  0.048  0.917  0.714  1.0
  O  O18  1  0.714  0.048  0.917  1.0
  O  O19  1  0.583  0.452  0.786  1.0
  O  O20  1  0.452  0.786  0.583  1.0
  O  O21  1  0.786  0.583  0.452  1.0
[/CIF]
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