The compound described by YbFeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 24-26°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Yb(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Yb(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_YbFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   5.279
_cell_length_c   7.361
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.998
_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
  Yb  Yb0  1  0.012  0.949  0.750  1.0
  Yb  Yb1  1  0.512  0.551  0.250  1.0
  Yb  Yb2  1  0.488  0.449  0.750  1.0
  Yb  Yb3  1  0.988  0.051  0.250  1.0
  Fe  Fe4  1  0.000  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.500  0.000  0.000  1.0
  Fe  Fe7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.709  0.292  0.461  1.0
  O  O9  1  0.209  0.208  0.539  1.0
  O  O10  1  0.791  0.792  0.039  1.0
  O  O11  1  0.291  0.708  0.961  1.0
  O  O12  1  0.291  0.708  0.539  1.0
  O  O13  1  0.791  0.792  0.461  1.0
  O  O14  1  0.209  0.208  0.961  1.0
  O  O15  1  0.709  0.292  0.039  1.0
  O  O16  1  0.073  0.487  0.250  1.0
  O  O17  1  0.573  0.013  0.750  1.0
  O  O18  1  0.427  0.987  0.250  1.0
  O  O19  1  0.927  0.513  0.750  1.0
[/CIF]
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The compound described by YbFeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 24-26°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Yb(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Yb(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_YbFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   5.279
_cell_length_c   7.361
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.998
_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
  Yb  Yb0  1  0.012  0.949  0.750  1.0
  Yb  Yb1  1  0.512  0.551  0.250  1.0
  Yb  Yb2  1  0.488  0.449  0.750  1.0
  Yb  Yb3  1  0.988  0.051  0.250  1.0
  Fe  Fe4  1  0.000  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.500  0.000  0.000  1.0
  Fe  Fe7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.709  0.292  0.461  1.0
  O  O9  1  0.209  0.208  0.539  1.0
  O  O10  1  0.791  0.792  0.039  1.0
  O  O11  1  0.291  0.708  0.961  1.0
  O  O12  1  0.291  0.708  0.539  1.0
  O  O13  1  0.791  0.792  0.461  1.0
  O  O14  1  0.209  0.208  0.961  1.0
  O  O15  1  0.709  0.292  0.039  1.0
  O  O16  1  0.073  0.487  0.250  1.0
  O  O17  1  0.573  0.013  0.750  1.0
  O  O18  1  0.427  0.987  0.250  1.0
  O  O19  1  0.927  0.513  0.750  1.0
[/CIF]
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