The material structure described by TmRhO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Tm(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Rh(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Tm(1) and two equivalent Rh(1) atoms. In the second O site, O(2) is bonded to two equivalent Tm(1) and two equivalent Rh(1) atoms to form distorted corner-sharing OTm2Rh2 trigonal pyramids. is represented by the CIF file [CIF]
data_TmRhO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.174
_cell_length_b   5.702
_cell_length_c   7.512
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.622
_cell_formula_units_Z   4
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
  Tm  Tm0  1  0.031  0.415  0.250  1.0
  Tm  Tm1  1  0.969  0.585  0.750  1.0
  Tm  Tm2  1  0.531  0.085  0.750  1.0
  Tm  Tm3  1  0.469  0.915  0.250  1.0
  Rh  Rh4  1  0.000  0.000  0.000  1.0
  Rh  Rh5  1  0.500  0.500  0.000  1.0
  Rh  Rh6  1  0.000  0.000  0.500  1.0
  Rh  Rh7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.325  0.188  0.065  1.0
  O  O9  1  0.675  0.812  0.935  1.0
  O  O10  1  0.825  0.312  0.935  1.0
  O  O11  1  0.675  0.812  0.565  1.0
  O  O12  1  0.175  0.688  0.065  1.0
  O  O13  1  0.325  0.188  0.435  1.0
  O  O14  1  0.175  0.688  0.435  1.0
  O  O15  1  0.825  0.312  0.565  1.0
  O  O16  1  0.641  0.557  0.250  1.0
  O  O17  1  0.359  0.443  0.750  1.0
  O  O18  1  0.141  0.943  0.750  1.0
  O  O19  1  0.859  0.057  0.250  1.0
[/CIF]
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The material structure described by TmRhO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Tm(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Rh(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Tm(1) and two equivalent Rh(1) atoms. In the second O site, O(2) is bonded to two equivalent Tm(1) and two equivalent Rh(1) atoms to form distorted corner-sharing OTm2Rh2 trigonal pyramids. is represented by the CIF file [CIF]
data_TmRhO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.174
_cell_length_b   5.702
_cell_length_c   7.512
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.622
_cell_formula_units_Z   4
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
  Tm  Tm0  1  0.031  0.415  0.250  1.0
  Tm  Tm1  1  0.969  0.585  0.750  1.0
  Tm  Tm2  1  0.531  0.085  0.750  1.0
  Tm  Tm3  1  0.469  0.915  0.250  1.0
  Rh  Rh4  1  0.000  0.000  0.000  1.0
  Rh  Rh5  1  0.500  0.500  0.000  1.0
  Rh  Rh6  1  0.000  0.000  0.500  1.0
  Rh  Rh7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.325  0.188  0.065  1.0
  O  O9  1  0.675  0.812  0.935  1.0
  O  O10  1  0.825  0.312  0.935  1.0
  O  O11  1  0.675  0.812  0.565  1.0
  O  O12  1  0.175  0.688  0.065  1.0
  O  O13  1  0.325  0.188  0.435  1.0
  O  O14  1  0.175  0.688  0.435  1.0
  O  O15  1  0.825  0.312  0.565  1.0
  O  O16  1  0.641  0.557  0.250  1.0
  O  O17  1  0.359  0.443  0.750  1.0
  O  O18  1  0.141  0.943  0.750  1.0
  O  O19  1  0.859  0.057  0.250  1.0
[/CIF]
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