The structure described by ErYO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Er(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing ErO6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Er(1) and two equivalent Y(1) atoms to form distorted corner-sharing OY2Er2 trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Er(1) and three equivalent Y(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YErO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   5.944
_cell_length_c   8.375
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   282.878
_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
  Y  Y0  1  0.014  0.948  0.750  1.0
  Y  Y1  1  0.486  0.448  0.750  1.0
  Y  Y2  1  0.514  0.552  0.250  1.0
  Y  Y3  1  0.986  0.052  0.250  1.0
  Er  Er4  1  0.000  0.500  0.000  1.0
  Er  Er5  1  0.000  0.500  0.500  1.0
  Er  Er6  1  0.500  0.000  0.000  1.0
  Er  Er7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.145  0.422  0.250  1.0
  O  O9  1  0.179  0.183  0.576  1.0
  O  O10  1  0.179  0.183  0.924  1.0
  O  O11  1  0.321  0.683  0.924  1.0
  O  O12  1  0.321  0.683  0.576  1.0
  O  O13  1  0.355  0.922  0.250  1.0
  O  O14  1  0.645  0.078  0.750  1.0
  O  O15  1  0.679  0.317  0.424  1.0
  O  O16  1  0.679  0.317  0.076  1.0
  O  O17  1  0.821  0.817  0.076  1.0
  O  O18  1  0.821  0.817  0.424  1.0
  O  O19  1  0.855  0.578  0.750  1.0
[/CIF]
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The structure described by ErYO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Er(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing ErO6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Er(1) and two equivalent Y(1) atoms to form distorted corner-sharing OY2Er2 trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Er(1) and three equivalent Y(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YErO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   5.944
_cell_length_c   8.375
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   282.878
_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
  Y  Y0  1  0.014  0.948  0.750  1.0
  Y  Y1  1  0.486  0.448  0.750  1.0
  Y  Y2  1  0.514  0.552  0.250  1.0
  Y  Y3  1  0.986  0.052  0.250  1.0
  Er  Er4  1  0.000  0.500  0.000  1.0
  Er  Er5  1  0.000  0.500  0.500  1.0
  Er  Er6  1  0.500  0.000  0.000  1.0
  Er  Er7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.145  0.422  0.250  1.0
  O  O9  1  0.179  0.183  0.576  1.0
  O  O10  1  0.179  0.183  0.924  1.0
  O  O11  1  0.321  0.683  0.924  1.0
  O  O12  1  0.321  0.683  0.576  1.0
  O  O13  1  0.355  0.922  0.250  1.0
  O  O14  1  0.645  0.078  0.750  1.0
  O  O15  1  0.679  0.317  0.424  1.0
  O  O16  1  0.679  0.317  0.076  1.0
  O  O17  1  0.821  0.817  0.076  1.0
  O  O18  1  0.821  0.817  0.424  1.0
  O  O19  1  0.855  0.578  0.750  1.0
[/CIF]
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