The material structure described by Ca2RhCoO6 crystallizes in the monoclinic C2 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(2), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(3) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Rh(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form RhO6 octahedra that share  a faceface with one Co(1)O6 pentagonal pyramid. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form distorted CoO6 pentagonal pyramids that share faces with two equivalent Rh(1)O6 octahedra. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(3), two equivalent Ca(2), one Rh(1), and one Co(2) atom to form a mixture of distorted edge, corner, and face-sharing OCa3CoRh square pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one Rh(1), and one Co(1) atom. In the third O site, O(3) is bonded to one Ca(3), two equivalent Ca(2), one Rh(1), and one Co(1) atom to form a mixture of edge, corner, and face-sharing OCa3CoRh square pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Rh(1), and one Co(2) atom. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), one Ca(3), one Rh(1), and one Co(1) atom to form a mixture of edge, corner, and face-sharing OCa3CoRh square pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one Rh(1), and one Co(2) atom. is represented by the CIF card [CIF]
data_Ca2CoRhO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.480
_cell_length_b   6.480
_cell_length_c   6.308
_cell_angle_alpha   86.299
_cell_angle_beta   86.299
_cell_angle_gamma   91.616
_symmetry_Int_Tables_number   1
_cell_volume   263.691
_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
  Ca  Ca0  1  0.880  0.120  0.500  1.0
  Ca  Ca1  1  0.621  0.738  0.870  1.0
  Ca  Ca2  1  0.117  0.883  0.000  1.0
  Ca  Ca3  1  0.262  0.379  0.130  1.0
  Co  Co4  1  0.257  0.743  0.500  1.0
  Co  Co5  1  0.751  0.249  0.000  1.0
  Rh  Rh6  1  0.003  0.501  0.738  1.0
  Rh  Rh7  1  0.499  0.997  0.262  1.0
  O  O8  1  0.919  0.518  0.041  1.0
  O  O9  1  0.541  0.919  0.550  1.0
  O  O10  1  0.295  0.612  0.786  1.0
  O  O11  1  0.013  0.199  0.843  1.0
  O  O12  1  0.388  0.705  0.214  1.0
  O  O13  1  0.801  0.987  0.157  1.0
  O  O14  1  0.967  0.803  0.674  1.0
  O  O15  1  0.482  0.081  0.959  1.0
  O  O16  1  0.081  0.459  0.450  1.0
  O  O17  1  0.708  0.401  0.748  1.0
  O  O18  1  0.197  0.033  0.326  1.0
  O  O19  1  0.599  0.292  0.252  1.0
[/CIF]
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The material structure described by Ca2RhCoO6 crystallizes in the monoclinic C2 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(2), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(3) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Rh(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form RhO6 octahedra that share  a faceface with one Co(1)O6 pentagonal pyramid. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form distorted CoO6 pentagonal pyramids that share faces with two equivalent Rh(1)O6 octahedra. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(3), two equivalent Ca(2), one Rh(1), and one Co(2) atom to form a mixture of distorted edge, corner, and face-sharing OCa3CoRh square pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one Rh(1), and one Co(1) atom. In the third O site, O(3) is bonded to one Ca(3), two equivalent Ca(2), one Rh(1), and one Co(1) atom to form a mixture of edge, corner, and face-sharing OCa3CoRh square pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Rh(1), and one Co(2) atom. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), one Ca(3), one Rh(1), and one Co(1) atom to form a mixture of edge, corner, and face-sharing OCa3CoRh square pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one Rh(1), and one Co(2) atom. is represented by the CIF card [CIF]
data_Ca2CoRhO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.480
_cell_length_b   6.480
_cell_length_c   6.308
_cell_angle_alpha   86.299
_cell_angle_beta   86.299
_cell_angle_gamma   91.616
_symmetry_Int_Tables_number   1
_cell_volume   263.691
_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
  Ca  Ca0  1  0.880  0.120  0.500  1.0
  Ca  Ca1  1  0.621  0.738  0.870  1.0
  Ca  Ca2  1  0.117  0.883  0.000  1.0
  Ca  Ca3  1  0.262  0.379  0.130  1.0
  Co  Co4  1  0.257  0.743  0.500  1.0
  Co  Co5  1  0.751  0.249  0.000  1.0
  Rh  Rh6  1  0.003  0.501  0.738  1.0
  Rh  Rh7  1  0.499  0.997  0.262  1.0
  O  O8  1  0.919  0.518  0.041  1.0
  O  O9  1  0.541  0.919  0.550  1.0
  O  O10  1  0.295  0.612  0.786  1.0
  O  O11  1  0.013  0.199  0.843  1.0
  O  O12  1  0.388  0.705  0.214  1.0
  O  O13  1  0.801  0.987  0.157  1.0
  O  O14  1  0.967  0.803  0.674  1.0
  O  O15  1  0.482  0.081  0.959  1.0
  O  O16  1  0.081  0.459  0.450  1.0
  O  O17  1  0.708  0.401  0.748  1.0
  O  O18  1  0.197  0.033  0.326  1.0
  O  O19  1  0.599  0.292  0.252  1.0
[/CIF]
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