The material structure described by Sr6(RhO3)5 crystallizes in the trigonal R32 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form face-sharing RhO6 octahedra. In the second Rh site, Rh(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form face-sharing RhO6 octahedra. In the third Rh site, Rh(3) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Sr(1), one Sr(2), one Rh(2), and one Rh(3) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Rh(1) atoms to form a mixture of corner, edge, and face-sharing OSr4Rh2 octahedra. The corner-sharing octahedral tilt angles range from 4-63°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Rh(1), and one Rh(2) atom to form a mixture of distorted corner, edge, and face-sharing OSr4Rh2 octahedra. The corner-sharing octahedral tilt angles range from 4-63°. is represented by the CIF card [CIF]
data_Sr6(RhO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.079
_cell_length_b   7.079
_cell_length_c   7.079
_cell_angle_alpha   86.388
_cell_angle_beta   86.388
_cell_angle_gamma   86.388
_symmetry_Int_Tables_number   1
_cell_volume   352.662
_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
  Sr  Sr0  1  0.320  0.680  0.000  1.0
  Sr  Sr1  1  0.680  0.000  0.320  1.0
  Sr  Sr2  1  0.000  0.320  0.680  1.0
  Sr  Sr3  1  0.145  0.855  0.500  1.0
  Sr  Sr4  1  0.855  0.500  0.145  1.0
  Sr  Sr5  1  0.500  0.145  0.855  1.0
  Rh  Rh6  1  0.904  0.904  0.904  1.0
  Rh  Rh7  1  0.096  0.096  0.096  1.0
  Rh  Rh8  1  0.710  0.710  0.710  1.0
  Rh  Rh9  1  0.290  0.290  0.290  1.0
  Rh  Rh10  1  0.500  0.500  0.500  1.0
  O  O11  1  0.264  0.563  0.348  1.0
  O  O12  1  0.348  0.264  0.563  1.0
  O  O13  1  0.563  0.348  0.264  1.0
  O  O14  1  0.736  0.652  0.437  1.0
  O  O15  1  0.437  0.736  0.652  1.0
  O  O16  1  0.652  0.437  0.736  1.0
  O  O17  1  0.000  0.835  0.165  1.0
  O  O18  1  0.165  0.000  0.835  1.0
  O  O19  1  0.835  0.165  0.000  1.0
  O  O20  1  0.347  0.015  0.207  1.0
  O  O21  1  0.207  0.347  0.015  1.0
  O  O22  1  0.793  0.985  0.653  1.0
  O  O23  1  0.985  0.653  0.793  1.0
  O  O24  1  0.653  0.793  0.985  1.0
  O  O25  1  0.015  0.207  0.347  1.0
[/CIF]
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The material structure described by Sr6(RhO3)5 crystallizes in the trigonal R32 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form face-sharing RhO6 octahedra. In the second Rh site, Rh(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form face-sharing RhO6 octahedra. In the third Rh site, Rh(3) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Sr(1), one Sr(2), one Rh(2), and one Rh(3) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Rh(1) atoms to form a mixture of corner, edge, and face-sharing OSr4Rh2 octahedra. The corner-sharing octahedral tilt angles range from 4-63°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Rh(1), and one Rh(2) atom to form a mixture of distorted corner, edge, and face-sharing OSr4Rh2 octahedra. The corner-sharing octahedral tilt angles range from 4-63°. is represented by the CIF card [CIF]
data_Sr6(RhO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.079
_cell_length_b   7.079
_cell_length_c   7.079
_cell_angle_alpha   86.388
_cell_angle_beta   86.388
_cell_angle_gamma   86.388
_symmetry_Int_Tables_number   1
_cell_volume   352.662
_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
  Sr  Sr0  1  0.320  0.680  0.000  1.0
  Sr  Sr1  1  0.680  0.000  0.320  1.0
  Sr  Sr2  1  0.000  0.320  0.680  1.0
  Sr  Sr3  1  0.145  0.855  0.500  1.0
  Sr  Sr4  1  0.855  0.500  0.145  1.0
  Sr  Sr5  1  0.500  0.145  0.855  1.0
  Rh  Rh6  1  0.904  0.904  0.904  1.0
  Rh  Rh7  1  0.096  0.096  0.096  1.0
  Rh  Rh8  1  0.710  0.710  0.710  1.0
  Rh  Rh9  1  0.290  0.290  0.290  1.0
  Rh  Rh10  1  0.500  0.500  0.500  1.0
  O  O11  1  0.264  0.563  0.348  1.0
  O  O12  1  0.348  0.264  0.563  1.0
  O  O13  1  0.563  0.348  0.264  1.0
  O  O14  1  0.736  0.652  0.437  1.0
  O  O15  1  0.437  0.736  0.652  1.0
  O  O16  1  0.652  0.437  0.736  1.0
  O  O17  1  0.000  0.835  0.165  1.0
  O  O18  1  0.165  0.000  0.835  1.0
  O  O19  1  0.835  0.165  0.000  1.0
  O  O20  1  0.347  0.015  0.207  1.0
  O  O21  1  0.207  0.347  0.015  1.0
  O  O22  1  0.793  0.985  0.653  1.0
  O  O23  1  0.985  0.653  0.793  1.0
  O  O24  1  0.653  0.793  0.985  1.0
  O  O25  1  0.015  0.207  0.347  1.0
[/CIF]
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