The crystal structure described by DyY(FeO3)2 crystallizes in the orthorhombic Pmc2_1 space group. Dy(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Fe(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Dy(1), two equivalent Y(1), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Dy(1), one Y(1), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded to two equivalent Y(1) and two equivalent Fe(1) atoms to form distorted OY2Fe2 trigonal pyramids that share corners with two equivalent O(4)Dy2Fe2 trigonal pyramids and corners with two equivalent O(3)Y2Fe2 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Dy(1) and two equivalent Fe(1) atoms to form distorted ODy2Fe2 trigonal pyramids that share corners with two equivalent O(4)Dy2Fe2 trigonal pyramids and corners with two equivalent O(3)Y2Fe2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyY(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.355
_cell_length_b   5.647
_cell_length_c   7.737
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.972
_cell_formula_units_Z   2
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  0.770  0.933  0.500  1.0
  Dy  Dy1  1  0.230  0.433  0.500  1.0
  Y  Y2  1  0.730  0.066  0.000  1.0
  Y  Y3  1  0.270  0.566  0.000  1.0
  Fe  Fe4  1  0.250  1.000  0.750  1.0
  Fe  Fe5  1  0.750  0.500  0.250  1.0
  Fe  Fe6  1  0.250  1.000  0.250  1.0
  Fe  Fe7  1  0.750  0.500  0.750  1.0
  O  O8  1  0.556  0.804  0.810  1.0
  O  O9  1  0.444  0.304  0.190  1.0
  O  O10  1  0.944  0.196  0.311  1.0
  O  O11  1  0.056  0.696  0.689  1.0
  O  O12  1  0.944  0.196  0.689  1.0
  O  O13  1  0.056  0.696  0.311  1.0
  O  O14  1  0.556  0.804  0.190  1.0
  O  O15  1  0.444  0.304  0.810  1.0
  O  O16  1  0.866  0.456  0.000  1.0
  O  O17  1  0.134  0.956  0.000  1.0
  O  O18  1  0.633  0.544  0.500  1.0
  O  O19  1  0.367  0.044  0.500  1.0
[/CIF]
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The crystal structure described by DyY(FeO3)2 crystallizes in the orthorhombic Pmc2_1 space group. Dy(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Fe(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Dy(1), two equivalent Y(1), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Dy(1), one Y(1), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded to two equivalent Y(1) and two equivalent Fe(1) atoms to form distorted OY2Fe2 trigonal pyramids that share corners with two equivalent O(4)Dy2Fe2 trigonal pyramids and corners with two equivalent O(3)Y2Fe2 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Dy(1) and two equivalent Fe(1) atoms to form distorted ODy2Fe2 trigonal pyramids that share corners with two equivalent O(4)Dy2Fe2 trigonal pyramids and corners with two equivalent O(3)Y2Fe2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyY(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.355
_cell_length_b   5.647
_cell_length_c   7.737
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.972
_cell_formula_units_Z   2
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  0.770  0.933  0.500  1.0
  Dy  Dy1  1  0.230  0.433  0.500  1.0
  Y  Y2  1  0.730  0.066  0.000  1.0
  Y  Y3  1  0.270  0.566  0.000  1.0
  Fe  Fe4  1  0.250  1.000  0.750  1.0
  Fe  Fe5  1  0.750  0.500  0.250  1.0
  Fe  Fe6  1  0.250  1.000  0.250  1.0
  Fe  Fe7  1  0.750  0.500  0.750  1.0
  O  O8  1  0.556  0.804  0.810  1.0
  O  O9  1  0.444  0.304  0.190  1.0
  O  O10  1  0.944  0.196  0.311  1.0
  O  O11  1  0.056  0.696  0.689  1.0
  O  O12  1  0.944  0.196  0.689  1.0
  O  O13  1  0.056  0.696  0.311  1.0
  O  O14  1  0.556  0.804  0.190  1.0
  O  O15  1  0.444  0.304  0.810  1.0
  O  O16  1  0.866  0.456  0.000  1.0
  O  O17  1  0.134  0.956  0.000  1.0
  O  O18  1  0.633  0.544  0.500  1.0
  O  O19  1  0.367  0.044  0.500  1.0
[/CIF]
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