The compound described by ScRhO3 is Ilmenite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Rh site, Rh(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the third Rh site, Rh(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the fourth Rh site, Rh(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Sc(1), one Sc(2), one Rh(2), and one Rh(4) atom to form a mixture of distorted edge and corner-sharing OSc2Rh2 trigonal pyramids. In the second O site, O(6) is bonded to one Sc(1), one Sc(2), one Rh(2), and one Rh(3) atom to form a mixture of distorted edge and corner-sharing OSc2Rh2 trigonal pyramids. In the third O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sc(1), one Rh(1), and one Rh(4) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sc(2), one Rh(1), and one Rh(2) atom. In the fifth O site, O(3) is bonded in a distorted see-saw-like geometry to one Sc(1), one Sc(2), one Rh(1), and one Rh(3) atom. In the sixth O site, O(4) is bonded to one Sc(1), one Sc(2), one Rh(3), and one Rh(4) atom to form a mixture of distorted edge and corner-sharing OSc2Rh2 trigonal pyramids. is represented by the CIF file [CIF]
data_ScRhO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.532
_cell_length_b   7.560
_cell_length_c   10.417
_cell_angle_alpha   46.863
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   432.852
_cell_formula_units_Z   8
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
  Sc  Sc0  1  0.740  0.569  0.725  1.0
  Sc  Sc1  1  0.760  0.569  0.225  1.0
  Sc  Sc2  1  0.260  0.431  0.275  1.0
  Sc  Sc3  1  0.240  0.431  0.775  1.0
  Sc  Sc4  1  0.733  0.065  0.210  1.0
  Sc  Sc5  1  0.767  0.065  0.710  1.0
  Sc  Sc6  1  0.267  0.935  0.790  1.0
  Sc  Sc7  1  0.233  0.935  0.290  1.0
  Rh  Rh8  1  0.500  0.000  0.500  1.0
  Rh  Rh9  1  0.000  0.000  0.000  1.0
  Rh  Rh10  1  0.500  0.500  0.000  1.0
  Rh  Rh11  1  0.000  0.500  0.500  1.0
  Rh  Rh12  1  0.500  0.000  0.000  1.0
  Rh  Rh13  1  0.000  0.000  0.500  1.0
  Rh  Rh14  1  0.500  0.500  0.500  1.0
  Rh  Rh15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.963  0.350  0.890  1.0
  O  O17  1  0.537  0.350  0.390  1.0
  O  O18  1  0.037  0.650  0.110  1.0
  O  O19  1  0.463  0.650  0.610  1.0
  O  O20  1  0.046  0.145  0.747  1.0
  O  O21  1  0.454  0.145  0.247  1.0
  O  O22  1  0.954  0.855  0.253  1.0
  O  O23  1  0.546  0.855  0.753  1.0
  O  O24  1  0.752  0.925  0.464  1.0
  O  O25  1  0.748  0.925  0.964  1.0
  O  O26  1  0.248  0.075  0.536  1.0
  O  O27  1  0.252  0.075  0.036  1.0
  O  O28  1  0.100  0.214  0.246  1.0
  O  O29  1  0.400  0.214  0.746  1.0
  O  O30  1  0.900  0.786  0.754  1.0
  O  O31  1  0.600  0.786  0.254  1.0
  O  O32  1  0.750  0.424  0.612  1.0
  O  O33  1  0.750  0.424  0.112  1.0
  O  O34  1  0.250  0.576  0.388  1.0
  O  O35  1  0.250  0.576  0.888  1.0
  O  O36  1  0.898  0.293  0.454  1.0
  O  O37  1  0.602  0.293  0.954  1.0
  O  O38  1  0.102  0.707  0.546  1.0
  O  O39  1  0.398  0.707  0.046  1.0
[/CIF]
.
The compound described by ScRhO3 is Ilmenite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Rh site, Rh(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the third Rh site, Rh(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the fourth Rh site, Rh(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Sc(1), one Sc(2), one Rh(2), and one Rh(4) atom to form a mixture of distorted edge and corner-sharing OSc2Rh2 trigonal pyramids. In the second O site, O(6) is bonded to one Sc(1), one Sc(2), one Rh(2), and one Rh(3) atom to form a mixture of distorted edge and corner-sharing OSc2Rh2 trigonal pyramids. In the third O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sc(1), one Rh(1), and one Rh(4) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sc(2), one Rh(1), and one Rh(2) atom. In the fifth O site, O(3) is bonded in a distorted see-saw-like geometry to one Sc(1), one Sc(2), one Rh(1), and one Rh(3) atom. In the sixth O site, O(4) is bonded to one Sc(1), one Sc(2), one Rh(3), and one Rh(4) atom to form a mixture of distorted edge and corner-sharing OSc2Rh2 trigonal pyramids. is represented by the CIF file [CIF]
data_ScRhO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.532
_cell_length_b   7.560
_cell_length_c   10.417
_cell_angle_alpha   46.863
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   432.852
_cell_formula_units_Z   8
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
  Sc  Sc0  1  0.740  0.569  0.725  1.0
  Sc  Sc1  1  0.760  0.569  0.225  1.0
  Sc  Sc2  1  0.260  0.431  0.275  1.0
  Sc  Sc3  1  0.240  0.431  0.775  1.0
  Sc  Sc4  1  0.733  0.065  0.210  1.0
  Sc  Sc5  1  0.767  0.065  0.710  1.0
  Sc  Sc6  1  0.267  0.935  0.790  1.0
  Sc  Sc7  1  0.233  0.935  0.290  1.0
  Rh  Rh8  1  0.500  0.000  0.500  1.0
  Rh  Rh9  1  0.000  0.000  0.000  1.0
  Rh  Rh10  1  0.500  0.500  0.000  1.0
  Rh  Rh11  1  0.000  0.500  0.500  1.0
  Rh  Rh12  1  0.500  0.000  0.000  1.0
  Rh  Rh13  1  0.000  0.000  0.500  1.0
  Rh  Rh14  1  0.500  0.500  0.500  1.0
  Rh  Rh15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.963  0.350  0.890  1.0
  O  O17  1  0.537  0.350  0.390  1.0
  O  O18  1  0.037  0.650  0.110  1.0
  O  O19  1  0.463  0.650  0.610  1.0
  O  O20  1  0.046  0.145  0.747  1.0
  O  O21  1  0.454  0.145  0.247  1.0
  O  O22  1  0.954  0.855  0.253  1.0
  O  O23  1  0.546  0.855  0.753  1.0
  O  O24  1  0.752  0.925  0.464  1.0
  O  O25  1  0.748  0.925  0.964  1.0
  O  O26  1  0.248  0.075  0.536  1.0
  O  O27  1  0.252  0.075  0.036  1.0
  O  O28  1  0.100  0.214  0.246  1.0
  O  O29  1  0.400  0.214  0.746  1.0
  O  O30  1  0.900  0.786  0.754  1.0
  O  O31  1  0.600  0.786  0.254  1.0
  O  O32  1  0.750  0.424  0.612  1.0
  O  O33  1  0.750  0.424  0.112  1.0
  O  O34  1  0.250  0.576  0.388  1.0
  O  O35  1  0.250  0.576  0.888  1.0
  O  O36  1  0.898  0.293  0.454  1.0
  O  O37  1  0.602  0.293  0.954  1.0
  O  O38  1  0.102  0.707  0.546  1.0
  O  O39  1  0.398  0.707  0.046  1.0
[/CIF]
.