The material described by LuRhO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Lu(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Rh(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Rh(1) atoms to form distorted corner-sharing OLu2Rh2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Lu(1) and two equivalent Rh(1) atoms. is represented by the CIF card [CIF]
data_LuRhO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.150
_cell_length_b   5.661
_cell_length_c   7.482
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.149
_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
  Lu  Lu0  1  0.531  0.585  0.250  1.0
  Lu  Lu1  1  0.969  0.085  0.250  1.0
  Lu  Lu2  1  0.469  0.415  0.750  1.0
  Lu  Lu3  1  0.031  0.915  0.750  1.0
  Rh  Rh4  1  0.000  0.500  0.000  1.0
  Rh  Rh5  1  0.500  0.000  0.500  1.0
  Rh  Rh6  1  0.000  0.500  0.500  1.0
  Rh  Rh7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.355  0.940  0.250  1.0
  O  O9  1  0.145  0.440  0.250  1.0
  O  O10  1  0.645  0.060  0.750  1.0
  O  O11  1  0.855  0.560  0.750  1.0
  O  O12  1  0.826  0.813  0.067  1.0
  O  O13  1  0.674  0.313  0.433  1.0
  O  O14  1  0.174  0.187  0.567  1.0
  O  O15  1  0.326  0.687  0.933  1.0
  O  O16  1  0.174  0.187  0.933  1.0
  O  O17  1  0.326  0.687  0.567  1.0
  O  O18  1  0.826  0.813  0.433  1.0
  O  O19  1  0.674  0.313  0.067  1.0
[/CIF]
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The material described by LuRhO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Lu(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Rh(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Rh(1) atoms to form distorted corner-sharing OLu2Rh2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Lu(1) and two equivalent Rh(1) atoms. is represented by the CIF card [CIF]
data_LuRhO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.150
_cell_length_b   5.661
_cell_length_c   7.482
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.149
_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
  Lu  Lu0  1  0.531  0.585  0.250  1.0
  Lu  Lu1  1  0.969  0.085  0.250  1.0
  Lu  Lu2  1  0.469  0.415  0.750  1.0
  Lu  Lu3  1  0.031  0.915  0.750  1.0
  Rh  Rh4  1  0.000  0.500  0.000  1.0
  Rh  Rh5  1  0.500  0.000  0.500  1.0
  Rh  Rh6  1  0.000  0.500  0.500  1.0
  Rh  Rh7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.355  0.940  0.250  1.0
  O  O9  1  0.145  0.440  0.250  1.0
  O  O10  1  0.645  0.060  0.750  1.0
  O  O11  1  0.855  0.560  0.750  1.0
  O  O12  1  0.826  0.813  0.067  1.0
  O  O13  1  0.674  0.313  0.433  1.0
  O  O14  1  0.174  0.187  0.567  1.0
  O  O15  1  0.326  0.687  0.933  1.0
  O  O16  1  0.174  0.187  0.933  1.0
  O  O17  1  0.326  0.687  0.567  1.0
  O  O18  1  0.826  0.813  0.433  1.0
  O  O19  1  0.674  0.313  0.067  1.0
[/CIF]
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