The compound described by Ca6RhCo3O12 crystallizes in the trigonal R-3 space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Rh(1) is bonded to six equivalent O(2) atoms to form RhO6 octahedra that share faces with two equivalent Co(1)O6 pentagonal pyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted CoO6 pentagonal pyramids that share  a faceface with one Rh(1)O6 octahedra and  a faceface with one Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to six equivalent O(1) atoms to form face-sharing CoO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Ca(1), one Rh(1), and one Co(1) atom to form distorted OCa4CoRh octahedra that share corners with five equivalent O(2)Ca4CoRh octahedra, corners with ten equivalent O(1)Ca4Co2 octahedra,  an edgeedge with one O(2)Ca4CoRh octahedra, edges with three equivalent O(1)Ca4Co2 octahedra,  a faceface with one O(1)Ca4Co2 octahedra, and faces with four equivalent O(2)Ca4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the second O site, O(1) is bonded to four equivalent Ca(1), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share corners with five equivalent O(1)Ca4Co2 octahedra, corners with ten equivalent O(2)Ca4CoRh octahedra,  an edgeedge with one O(1)Ca4Co2 octahedra, edges with three equivalent O(2)Ca4CoRh octahedra,  a faceface with one O(2)Ca4CoRh octahedra, and faces with four equivalent O(1)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca6Co3RhO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.383
_cell_length_b   6.383
_cell_length_c   6.383
_cell_angle_alpha   91.761
_cell_angle_beta   91.761
_cell_angle_gamma   91.761
_symmetry_Int_Tables_number   1
_cell_volume   259.682
_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
  Ca  Ca0  1  0.881  0.618  0.254  1.0
  Ca  Ca1  1  0.254  0.881  0.618  1.0
  Ca  Ca2  1  0.618  0.254  0.881  1.0
  Ca  Ca3  1  0.746  0.119  0.382  1.0
  Ca  Ca4  1  0.382  0.746  0.119  1.0
  Ca  Ca5  1  0.119  0.382  0.746  1.0
  Co  Co6  1  0.256  0.256  0.256  1.0
  Co  Co7  1  0.744  0.744  0.744  1.0
  Co  Co8  1  0.500  0.500  0.500  1.0
  Rh  Rh9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.212  0.540  0.409  1.0
  O  O11  1  0.409  0.212  0.540  1.0
  O  O12  1  0.540  0.409  0.212  1.0
  O  O13  1  0.898  0.033  0.699  1.0
  O  O14  1  0.699  0.898  0.033  1.0
  O  O15  1  0.033  0.699  0.898  1.0
  O  O16  1  0.788  0.460  0.591  1.0
  O  O17  1  0.591  0.788  0.460  1.0
  O  O18  1  0.460  0.591  0.788  1.0
  O  O19  1  0.102  0.967  0.301  1.0
  O  O20  1  0.301  0.102  0.967  1.0
  O  O21  1  0.967  0.301  0.102  1.0
[/CIF]
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The compound described by Ca6RhCo3O12 crystallizes in the trigonal R-3 space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Rh(1) is bonded to six equivalent O(2) atoms to form RhO6 octahedra that share faces with two equivalent Co(1)O6 pentagonal pyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted CoO6 pentagonal pyramids that share  a faceface with one Rh(1)O6 octahedra and  a faceface with one Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to six equivalent O(1) atoms to form face-sharing CoO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Ca(1), one Rh(1), and one Co(1) atom to form distorted OCa4CoRh octahedra that share corners with five equivalent O(2)Ca4CoRh octahedra, corners with ten equivalent O(1)Ca4Co2 octahedra,  an edgeedge with one O(2)Ca4CoRh octahedra, edges with three equivalent O(1)Ca4Co2 octahedra,  a faceface with one O(1)Ca4Co2 octahedra, and faces with four equivalent O(2)Ca4CoRh octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the second O site, O(1) is bonded to four equivalent Ca(1), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share corners with five equivalent O(1)Ca4Co2 octahedra, corners with ten equivalent O(2)Ca4CoRh octahedra,  an edgeedge with one O(1)Ca4Co2 octahedra, edges with three equivalent O(2)Ca4CoRh octahedra,  a faceface with one O(2)Ca4CoRh octahedra, and faces with four equivalent O(1)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca6Co3RhO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.383
_cell_length_b   6.383
_cell_length_c   6.383
_cell_angle_alpha   91.761
_cell_angle_beta   91.761
_cell_angle_gamma   91.761
_symmetry_Int_Tables_number   1
_cell_volume   259.682
_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
  Ca  Ca0  1  0.881  0.618  0.254  1.0
  Ca  Ca1  1  0.254  0.881  0.618  1.0
  Ca  Ca2  1  0.618  0.254  0.881  1.0
  Ca  Ca3  1  0.746  0.119  0.382  1.0
  Ca  Ca4  1  0.382  0.746  0.119  1.0
  Ca  Ca5  1  0.119  0.382  0.746  1.0
  Co  Co6  1  0.256  0.256  0.256  1.0
  Co  Co7  1  0.744  0.744  0.744  1.0
  Co  Co8  1  0.500  0.500  0.500  1.0
  Rh  Rh9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.212  0.540  0.409  1.0
  O  O11  1  0.409  0.212  0.540  1.0
  O  O12  1  0.540  0.409  0.212  1.0
  O  O13  1  0.898  0.033  0.699  1.0
  O  O14  1  0.699  0.898  0.033  1.0
  O  O15  1  0.033  0.699  0.898  1.0
  O  O16  1  0.788  0.460  0.591  1.0
  O  O17  1  0.591  0.788  0.460  1.0
  O  O18  1  0.460  0.591  0.788  1.0
  O  O19  1  0.102  0.967  0.301  1.0
  O  O20  1  0.301  0.102  0.967  1.0
  O  O21  1  0.967  0.301  0.102  1.0
[/CIF]
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