The compound described by Sr3ErRhO6 crystallizes in the trigonal R-3c space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Er(1) is bonded to six equivalent O(1) atoms to form distorted ErO6 pentagonal pyramids that share faces with two equivalent Rh(1)O6 octahedra. Rh(1) is bonded to six equivalent O(1) atoms to form RhO6 octahedra that share faces with two equivalent Er(1)O6 pentagonal pyramids. O(1) is bonded to four equivalent Sr(1), one Er(1), and one Rh(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4ErRh octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the CIF card [CIF]
data_Sr3ErRhO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.844
_cell_length_b   6.844
_cell_length_c   6.844
_cell_angle_alpha   92.229
_cell_angle_beta   92.229
_cell_angle_gamma   92.229
_symmetry_Int_Tables_number   1
_cell_volume   319.886
_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  0.881  0.619  0.250  1.0
  Sr  Sr1  1  0.619  0.250  0.881  1.0
  Sr  Sr2  1  0.250  0.881  0.619  1.0
  Sr  Sr3  1  0.119  0.381  0.750  1.0
  Sr  Sr4  1  0.750  0.119  0.381  1.0
  Sr  Sr5  1  0.381  0.750  0.119  1.0
  Er  Er6  1  0.750  0.750  0.750  1.0
  Er  Er7  1  0.250  0.250  0.250  1.0
  Rh  Rh8  1  0.500  0.500  0.500  1.0
  Rh  Rh9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.592  0.792  0.458  1.0
  O  O11  1  0.458  0.592  0.792  1.0
  O  O12  1  0.792  0.458  0.592  1.0
  O  O13  1  0.908  0.042  0.708  1.0
  O  O14  1  0.708  0.908  0.042  1.0
  O  O15  1  0.042  0.708  0.908  1.0
  O  O16  1  0.408  0.208  0.542  1.0
  O  O17  1  0.542  0.408  0.208  1.0
  O  O18  1  0.208  0.542  0.408  1.0
  O  O19  1  0.092  0.958  0.292  1.0
  O  O20  1  0.958  0.292  0.092  1.0
  O  O21  1  0.292  0.092  0.958  1.0
[/CIF]
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The compound described by Sr3ErRhO6 crystallizes in the trigonal R-3c space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Er(1) is bonded to six equivalent O(1) atoms to form distorted ErO6 pentagonal pyramids that share faces with two equivalent Rh(1)O6 octahedra. Rh(1) is bonded to six equivalent O(1) atoms to form RhO6 octahedra that share faces with two equivalent Er(1)O6 pentagonal pyramids. O(1) is bonded to four equivalent Sr(1), one Er(1), and one Rh(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4ErRh octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the CIF card [CIF]
data_Sr3ErRhO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.844
_cell_length_b   6.844
_cell_length_c   6.844
_cell_angle_alpha   92.229
_cell_angle_beta   92.229
_cell_angle_gamma   92.229
_symmetry_Int_Tables_number   1
_cell_volume   319.886
_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  0.881  0.619  0.250  1.0
  Sr  Sr1  1  0.619  0.250  0.881  1.0
  Sr  Sr2  1  0.250  0.881  0.619  1.0
  Sr  Sr3  1  0.119  0.381  0.750  1.0
  Sr  Sr4  1  0.750  0.119  0.381  1.0
  Sr  Sr5  1  0.381  0.750  0.119  1.0
  Er  Er6  1  0.750  0.750  0.750  1.0
  Er  Er7  1  0.250  0.250  0.250  1.0
  Rh  Rh8  1  0.500  0.500  0.500  1.0
  Rh  Rh9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.592  0.792  0.458  1.0
  O  O11  1  0.458  0.592  0.792  1.0
  O  O12  1  0.792  0.458  0.592  1.0
  O  O13  1  0.908  0.042  0.708  1.0
  O  O14  1  0.708  0.908  0.042  1.0
  O  O15  1  0.042  0.708  0.908  1.0
  O  O16  1  0.408  0.208  0.542  1.0
  O  O17  1  0.542  0.408  0.208  1.0
  O  O18  1  0.208  0.542  0.408  1.0
  O  O19  1  0.092  0.958  0.292  1.0
  O  O20  1  0.958  0.292  0.092  1.0
  O  O21  1  0.292  0.092  0.958  1.0
[/CIF]
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