The crystal structure described by Gd3Y(FeO3)4 crystallizes in the monoclinic Pm space group. There are three inequivalent Gd sites. In the first Gd site, 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(3) atoms. In the second Gd site, Gd(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 Gd site, Gd(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. 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(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 34-37°. 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 34-37°. 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 Gd(3), one Y(1), 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 Gd(2), one Y(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one Gd(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(2), one Gd(3), one Y(1), 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(7)Gd2Fe2 trigonal pyramids and corners with two equivalent O(6)GdYFe2 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(8)Gd2Fe2 trigonal pyramids and corners with two equivalent O(5)GdYFe2 trigonal pyramids. In the seventh O site, O(7) is bonded to one Gd(2), one Gd(3), and two equivalent Fe(1) atoms to form distorted OGd2Fe2 trigonal pyramids that share corners with two equivalent O(8)Gd2Fe2 trigonal pyramids and corners with two equivalent O(5)GdYFe2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Gd(2), one Gd(3), and two equivalent Fe(2) atoms to form distorted OGd2Fe2 trigonal pyramids that share corners with two equivalent O(7)Gd2Fe2 trigonal pyramids and corners with two equivalent O(6)GdYFe2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd3Y(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.745
_cell_length_b   5.391
_cell_length_c   5.661
_cell_angle_alpha   89.987
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   236.352
_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  0.017  0.936  1.0
  Gd  Gd1  1  0.500  0.517  0.563  1.0
  Gd  Gd2  1  0.500  0.983  0.064  1.0
  Y  Y3  1  0.000  0.483  0.435  1.0
  Fe  Fe4  1  0.751  0.500  1.000  1.0
  Fe  Fe5  1  0.249  1.000  0.500  1.0
  Fe  Fe6  1  0.249  0.500  1.000  1.0
  Fe  Fe7  1  0.751  1.000  0.500  1.0
  O  O8  1  0.193  0.196  0.198  1.0
  O  O9  1  0.808  0.307  0.695  1.0
  O  O10  1  0.694  0.805  0.803  1.0
  O  O11  1  0.305  0.694  0.303  1.0
  O  O12  1  0.306  0.805  0.803  1.0
  O  O13  1  0.695  0.694  0.303  1.0
  O  O14  1  0.807  0.196  0.198  1.0
  O  O15  1  0.192  0.307  0.695  1.0
  O  O16  1  0.000  0.609  0.043  1.0
  O  O17  1  0.000  0.886  0.540  1.0
  O  O18  1  0.500  0.391  0.961  1.0
  O  O19  1  0.500  0.108  0.460  1.0
[/CIF]
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The crystal structure described by Gd3Y(FeO3)4 crystallizes in the monoclinic Pm space group. There are three inequivalent Gd sites. In the first Gd site, 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(3) atoms. In the second Gd site, Gd(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 Gd site, Gd(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. 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(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 34-37°. 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 34-37°. 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 Gd(3), one Y(1), 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 Gd(2), one Y(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one Gd(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(2), one Gd(3), one Y(1), 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(7)Gd2Fe2 trigonal pyramids and corners with two equivalent O(6)GdYFe2 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(8)Gd2Fe2 trigonal pyramids and corners with two equivalent O(5)GdYFe2 trigonal pyramids. In the seventh O site, O(7) is bonded to one Gd(2), one Gd(3), and two equivalent Fe(1) atoms to form distorted OGd2Fe2 trigonal pyramids that share corners with two equivalent O(8)Gd2Fe2 trigonal pyramids and corners with two equivalent O(5)GdYFe2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Gd(2), one Gd(3), and two equivalent Fe(2) atoms to form distorted OGd2Fe2 trigonal pyramids that share corners with two equivalent O(7)Gd2Fe2 trigonal pyramids and corners with two equivalent O(6)GdYFe2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd3Y(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.745
_cell_length_b   5.391
_cell_length_c   5.661
_cell_angle_alpha   89.987
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   236.352
_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  0.017  0.936  1.0
  Gd  Gd1  1  0.500  0.517  0.563  1.0
  Gd  Gd2  1  0.500  0.983  0.064  1.0
  Y  Y3  1  0.000  0.483  0.435  1.0
  Fe  Fe4  1  0.751  0.500  1.000  1.0
  Fe  Fe5  1  0.249  1.000  0.500  1.0
  Fe  Fe6  1  0.249  0.500  1.000  1.0
  Fe  Fe7  1  0.751  1.000  0.500  1.0
  O  O8  1  0.193  0.196  0.198  1.0
  O  O9  1  0.808  0.307  0.695  1.0
  O  O10  1  0.694  0.805  0.803  1.0
  O  O11  1  0.305  0.694  0.303  1.0
  O  O12  1  0.306  0.805  0.803  1.0
  O  O13  1  0.695  0.694  0.303  1.0
  O  O14  1  0.807  0.196  0.198  1.0
  O  O15  1  0.192  0.307  0.695  1.0
  O  O16  1  0.000  0.609  0.043  1.0
  O  O17  1  0.000  0.886  0.540  1.0
  O  O18  1  0.500  0.391  0.961  1.0
  O  O19  1  0.500  0.108  0.460  1.0
[/CIF]
.