The material structure described by GdY(FeO3)2 crystallizes in the orthorhombic Pmc2_1 space group. Gd(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 35-38°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Gd(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 Gd(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)Gd2Fe2 trigonal pyramids and corners with two equivalent O(3)Y2Fe2 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Gd(1) and two equivalent Fe(1) atoms to form distorted OGd2Fe2 trigonal pyramids that share corners with two equivalent O(4)Gd2Fe2 trigonal pyramids and corners with two equivalent O(3)Y2Fe2 trigonal pyramids. is represented by the CIF card [CIF]
data_GdY(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.380
_cell_length_b   5.658
_cell_length_c   7.758
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   236.171
_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
  Gd  Gd0  1  0.232  0.437  0.500  1.0
  Gd  Gd1  1  0.768  0.937  0.500  1.0
  Y  Y2  1  0.267  0.566  0.000  1.0
  Y  Y3  1  0.733  0.066  0.000  1.0
  Fe  Fe4  1  0.250  0.000  0.248  1.0
  Fe  Fe5  1  0.750  0.500  0.752  1.0
  Fe  Fe6  1  0.250  0.000  0.752  1.0
  Fe  Fe7  1  0.750  0.500  0.248  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  0.305  1.0
  O  O11  1  0.056  0.696  0.695  1.0
  O  O12  1  0.944  0.196  0.695  1.0
  O  O13  1  0.056  0.696  0.305  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  0.135  0.956  0.000  1.0
  O  O17  1  0.865  0.456  0.000  1.0
  O  O18  1  0.358  0.039  0.500  1.0
  O  O19  1  0.642  0.539  0.500  1.0
[/CIF]
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The material structure described by GdY(FeO3)2 crystallizes in the orthorhombic Pmc2_1 space group. Gd(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 35-38°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Gd(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 Gd(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)Gd2Fe2 trigonal pyramids and corners with two equivalent O(3)Y2Fe2 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Gd(1) and two equivalent Fe(1) atoms to form distorted OGd2Fe2 trigonal pyramids that share corners with two equivalent O(4)Gd2Fe2 trigonal pyramids and corners with two equivalent O(3)Y2Fe2 trigonal pyramids. is represented by the CIF card [CIF]
data_GdY(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.380
_cell_length_b   5.658
_cell_length_c   7.758
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   236.171
_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
  Gd  Gd0  1  0.232  0.437  0.500  1.0
  Gd  Gd1  1  0.768  0.937  0.500  1.0
  Y  Y2  1  0.267  0.566  0.000  1.0
  Y  Y3  1  0.733  0.066  0.000  1.0
  Fe  Fe4  1  0.250  0.000  0.248  1.0
  Fe  Fe5  1  0.750  0.500  0.752  1.0
  Fe  Fe6  1  0.250  0.000  0.752  1.0
  Fe  Fe7  1  0.750  0.500  0.248  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  0.305  1.0
  O  O11  1  0.056  0.696  0.695  1.0
  O  O12  1  0.944  0.196  0.695  1.0
  O  O13  1  0.056  0.696  0.305  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  0.135  0.956  0.000  1.0
  O  O17  1  0.865  0.456  0.000  1.0
  O  O18  1  0.358  0.039  0.500  1.0
  O  O19  1  0.642  0.539  0.500  1.0
[/CIF]
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