The crystal structure described by DyFeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Dy(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 37-38°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Dy(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Dy(1) and two equivalent Fe(1) atoms to form distorted corner-sharing ODy2Fe2 trigonal pyramids. is represented by the CIF card [CIF]
data_DyFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.277
_cell_length_b   5.614
_cell_length_c   7.621
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.749
_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
  Dy  Dy0  1  0.019  0.929  0.750  1.0
  Dy  Dy1  1  0.519  0.571  0.250  1.0
  Dy  Dy2  1  0.481  0.429  0.750  1.0
  Dy  Dy3  1  0.981  0.071  0.250  1.0
  Fe  Fe4  1  0.500  0.000  0.500  1.0
  Fe  Fe5  1  0.000  0.500  0.500  1.0
  Fe  Fe6  1  0.000  0.500  0.000  1.0
  Fe  Fe7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.310  0.693  0.559  1.0
  O  O9  1  0.810  0.807  0.441  1.0
  O  O10  1  0.190  0.193  0.941  1.0
  O  O11  1  0.690  0.307  0.059  1.0
  O  O12  1  0.690  0.307  0.441  1.0
  O  O13  1  0.190  0.193  0.559  1.0
  O  O14  1  0.810  0.807  0.059  1.0
  O  O15  1  0.310  0.693  0.941  1.0
  O  O16  1  0.116  0.458  0.250  1.0
  O  O17  1  0.616  0.042  0.750  1.0
  O  O18  1  0.384  0.958  0.250  1.0
  O  O19  1  0.884  0.542  0.750  1.0
[/CIF]
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The crystal structure described by DyFeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Dy(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 37-38°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Dy(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Dy(1) and two equivalent Fe(1) atoms to form distorted corner-sharing ODy2Fe2 trigonal pyramids. is represented by the CIF card [CIF]
data_DyFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.277
_cell_length_b   5.614
_cell_length_c   7.621
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.749
_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
  Dy  Dy0  1  0.019  0.929  0.750  1.0
  Dy  Dy1  1  0.519  0.571  0.250  1.0
  Dy  Dy2  1  0.481  0.429  0.750  1.0
  Dy  Dy3  1  0.981  0.071  0.250  1.0
  Fe  Fe4  1  0.500  0.000  0.500  1.0
  Fe  Fe5  1  0.000  0.500  0.500  1.0
  Fe  Fe6  1  0.000  0.500  0.000  1.0
  Fe  Fe7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.310  0.693  0.559  1.0
  O  O9  1  0.810  0.807  0.441  1.0
  O  O10  1  0.190  0.193  0.941  1.0
  O  O11  1  0.690  0.307  0.059  1.0
  O  O12  1  0.690  0.307  0.441  1.0
  O  O13  1  0.190  0.193  0.559  1.0
  O  O14  1  0.810  0.807  0.059  1.0
  O  O15  1  0.310  0.693  0.941  1.0
  O  O16  1  0.116  0.458  0.250  1.0
  O  O17  1  0.616  0.042  0.750  1.0
  O  O18  1  0.384  0.958  0.250  1.0
  O  O19  1  0.884  0.542  0.750  1.0
[/CIF]
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