The structure described by GdY3(FeO3)4 crystallizes in the monoclinic Pm space group. Gd(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Y site, Y(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Gd(1), one Y(1), one Y(3), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Gd(1), one Y(1), one Y(2), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Y(1), one Y(2), one Y(3), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Gd(1), one Y(2), one Y(3), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Gd(1), one Y(1), and two equivalent Fe(1) atoms to form distorted OGdYFe2 trigonal pyramids that share corners with two equivalent O(6)GdYFe2 trigonal pyramids and corners with two equivalent O(7)Y2Fe2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Gd(1), one Y(1), and two equivalent Fe(2) atoms to form distorted OGdYFe2 trigonal pyramids that share corners with two equivalent O(5)GdYFe2 trigonal pyramids and corners with two equivalent O(8)Y2Fe2 trigonal pyramids. In the seventh O site, O(7) is bonded to one Y(2), one Y(3), and two equivalent Fe(1) atoms to form distorted OY2Fe2 trigonal pyramids that share corners with two equivalent O(5)GdYFe2 trigonal pyramids and corners with two equivalent O(8)Y2Fe2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Y(2), one Y(3), and two equivalent Fe(2) atoms to form distorted OY2Fe2 trigonal pyramids that share corners with two equivalent O(6)GdYFe2 trigonal pyramids and corners with two equivalent O(7)Y2Fe2 trigonal pyramids. is represented by the CIF file [CIF]
data_GdY3(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.731
_cell_length_b   5.357
_cell_length_c   5.661
_cell_angle_alpha   89.962
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.428
_cell_formula_units_Z   1
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  0.000  0.482  0.434  1.0
  Y  Y1  1  0.000  0.019  0.932  1.0
  Y  Y2  1  0.500  0.518  0.569  1.0
  Y  Y3  1  0.500  0.982  0.068  1.0
  Fe  Fe4  1  0.750  0.500  0.001  1.0
  Fe  Fe5  1  0.251  1.000  0.500  1.0
  Fe  Fe6  1  0.250  0.500  0.001  1.0
  Fe  Fe7  1  0.749  1.000  0.500  1.0
  O  O8  1  0.193  0.190  0.192  1.0
  O  O9  1  0.807  0.307  0.696  1.0
  O  O10  1  0.691  0.807  0.805  1.0
  O  O11  1  0.310  0.692  0.306  1.0
  O  O12  1  0.309  0.807  0.805  1.0
  O  O13  1  0.690  0.692  0.306  1.0
  O  O14  1  0.807  0.190  0.192  1.0
  O  O15  1  0.193  0.307  0.696  1.0
  O  O16  1  0.000  0.614  0.038  1.0
  O  O17  1  0.000  0.891  0.542  1.0
  O  O18  1  0.500  0.386  0.958  1.0
  O  O19  1  0.500  0.115  0.458  1.0
[/CIF]
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The structure described by GdY3(FeO3)4 crystallizes in the monoclinic Pm space group. Gd(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Y site, Y(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Gd(1), one Y(1), one Y(3), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Gd(1), one Y(1), one Y(2), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Y(1), one Y(2), one Y(3), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Gd(1), one Y(2), one Y(3), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Gd(1), one Y(1), and two equivalent Fe(1) atoms to form distorted OGdYFe2 trigonal pyramids that share corners with two equivalent O(6)GdYFe2 trigonal pyramids and corners with two equivalent O(7)Y2Fe2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Gd(1), one Y(1), and two equivalent Fe(2) atoms to form distorted OGdYFe2 trigonal pyramids that share corners with two equivalent O(5)GdYFe2 trigonal pyramids and corners with two equivalent O(8)Y2Fe2 trigonal pyramids. In the seventh O site, O(7) is bonded to one Y(2), one Y(3), and two equivalent Fe(1) atoms to form distorted OY2Fe2 trigonal pyramids that share corners with two equivalent O(5)GdYFe2 trigonal pyramids and corners with two equivalent O(8)Y2Fe2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Y(2), one Y(3), and two equivalent Fe(2) atoms to form distorted OY2Fe2 trigonal pyramids that share corners with two equivalent O(6)GdYFe2 trigonal pyramids and corners with two equivalent O(7)Y2Fe2 trigonal pyramids. is represented by the CIF file [CIF]
data_GdY3(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.731
_cell_length_b   5.357
_cell_length_c   5.661
_cell_angle_alpha   89.962
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.428
_cell_formula_units_Z   1
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  0.000  0.482  0.434  1.0
  Y  Y1  1  0.000  0.019  0.932  1.0
  Y  Y2  1  0.500  0.518  0.569  1.0
  Y  Y3  1  0.500  0.982  0.068  1.0
  Fe  Fe4  1  0.750  0.500  0.001  1.0
  Fe  Fe5  1  0.251  1.000  0.500  1.0
  Fe  Fe6  1  0.250  0.500  0.001  1.0
  Fe  Fe7  1  0.749  1.000  0.500  1.0
  O  O8  1  0.193  0.190  0.192  1.0
  O  O9  1  0.807  0.307  0.696  1.0
  O  O10  1  0.691  0.807  0.805  1.0
  O  O11  1  0.310  0.692  0.306  1.0
  O  O12  1  0.309  0.807  0.805  1.0
  O  O13  1  0.690  0.692  0.306  1.0
  O  O14  1  0.807  0.190  0.192  1.0
  O  O15  1  0.193  0.307  0.696  1.0
  O  O16  1  0.000  0.614  0.038  1.0
  O  O17  1  0.000  0.891  0.542  1.0
  O  O18  1  0.500  0.386  0.958  1.0
  O  O19  1  0.500  0.115  0.458  1.0
[/CIF]
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