The material structure described by Gd3FeO6 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted GdO7 pentagonal bipyramids that share  a cornercorner with one Gd(2)O7 pentagonal bipyramid, corners with four equivalent Gd(1)O7 pentagonal bipyramids, corners with three equivalent Fe(1)O4 tetrahedra, edges with two equivalent Gd(1)O7 pentagonal bipyramids, edges with three equivalent Gd(2)O7 pentagonal bipyramids,  an edgeedge with one Fe(1)O4 tetrahedra, and  a faceface with one Gd(1)O7 pentagonal bipyramid. In the second Gd site, Gd(2) is bonded to one O(4), two equivalent O(2), and four equivalent O(1) atoms to form distorted GdO7 pentagonal bipyramids that share corners with two equivalent Gd(1)O7 pentagonal bipyramids,  a cornercorner with one Fe(1)O4 tetrahedra, edges with two equivalent Gd(2)O7 pentagonal bipyramids, edges with six equivalent Gd(1)O7 pentagonal bipyramids, and  an edgeedge with one Fe(1)O4 tetrahedra. Fe(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form FeO4 tetrahedra that share  a cornercorner with one Gd(2)O7 pentagonal bipyramid, corners with six equivalent Gd(1)O7 pentagonal bipyramids,  an edgeedge with one Gd(2)O7 pentagonal bipyramid, and edges with two equivalent Gd(1)O7 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1) and two equivalent Gd(2) atoms to form OGd4 tetrahedra that share corners with two equivalent O(1)Gd4 tetrahedra, corners with four equivalent O(4)Gd3Fe tetrahedra, corners with two equivalent O(3)Gd4Fe trigonal bipyramids, corners with six equivalent O(2)Gd3Fe trigonal pyramids, edges with three equivalent O(1)Gd4 tetrahedra,  an edgeedge with one O(3)Gd4Fe trigonal bipyramid, and  an edgeedge with one O(2)Gd3Fe trigonal pyramid. In the second O site, O(2) is bonded to one Gd(2), two equivalent Gd(1), and one Fe(1) atom to form distorted OGd3Fe trigonal pyramids that share corners with two equivalent O(4)Gd3Fe tetrahedra, corners with six equivalent O(1)Gd4 tetrahedra, corners with three equivalent O(3)Gd4Fe trigonal bipyramids, corners with two equivalent O(2)Gd3Fe trigonal pyramids,  an edgeedge with one O(4)Gd3Fe tetrahedra,  an edgeedge with one O(1)Gd4 tetrahedra,  an edgeedge with one O(3)Gd4Fe trigonal bipyramid, and  an edgeedge with one O(2)Gd3Fe trigonal pyramid. In the third O site, O(3) is bonded to four equivalent Gd(1) and one Fe(1) atom to form distorted OGd4Fe trigonal bipyramids that share  a cornercorner with one O(4)Gd3Fe tetrahedra, corners with four equivalent O(1)Gd4 tetrahedra, corners with six equivalent O(2)Gd3Fe trigonal pyramids, edges with two equivalent O(4)Gd3Fe tetrahedra, edges with two equivalent O(1)Gd4 tetrahedra, edges with two equivalent O(3)Gd4Fe trigonal bipyramids, and edges with two equivalent O(2)Gd3Fe trigonal pyramids. In the fourth O site, O(4) is bonded to one Gd(2), two equivalent Gd(1), and one Fe(1) atom to form distorted OGd3Fe tetrahedra that share corners with eight equivalent O(1)Gd4 tetrahedra,  a cornercorner with one O(3)Gd4Fe trigonal bipyramid, corners with four equivalent O(2)Gd3Fe trigonal pyramids, edges with two equivalent O(3)Gd4Fe trigonal bipyramids, and edges with two equivalent O(2)Gd3Fe trigonal pyramids. is represented by the CIF card [CIF]
data_Gd3FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.196
_cell_length_b   7.196
_cell_length_c   5.499
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.921
_symmetry_Int_Tables_number   1
_cell_volume   277.579
_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  0.587  0.798  0.041  1.0
  Gd  Gd1  1  0.202  0.413  0.041  1.0
  Gd  Gd2  1  0.413  0.202  0.541  1.0
  Gd  Gd3  1  0.798  0.587  0.541  1.0
  Gd  Gd4  1  0.103  0.897  0.996  1.0
  Gd  Gd5  1  0.897  0.103  0.496  1.0
  Fe  Fe6  1  0.309  0.691  0.573  1.0
  Fe  Fe7  1  0.691  0.309  0.073  1.0
  O  O8  1  0.175  0.145  0.269  1.0
  O  O9  1  0.855  0.825  0.269  1.0
  O  O10  1  0.825  0.855  0.769  1.0
  O  O11  1  0.145  0.175  0.769  1.0
  O  O12  1  0.605  0.081  0.249  1.0
  O  O13  1  0.919  0.395  0.249  1.0
  O  O14  1  0.395  0.919  0.749  1.0
  O  O15  1  0.081  0.605  0.749  1.0
  O  O16  1  0.539  0.461  0.221  1.0
  O  O17  1  0.461  0.539  0.721  1.0
  O  O18  1  0.284  0.716  0.235  1.0
  O  O19  1  0.716  0.284  0.735  1.0
[/CIF]
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The material structure described by Gd3FeO6 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted GdO7 pentagonal bipyramids that share  a cornercorner with one Gd(2)O7 pentagonal bipyramid, corners with four equivalent Gd(1)O7 pentagonal bipyramids, corners with three equivalent Fe(1)O4 tetrahedra, edges with two equivalent Gd(1)O7 pentagonal bipyramids, edges with three equivalent Gd(2)O7 pentagonal bipyramids,  an edgeedge with one Fe(1)O4 tetrahedra, and  a faceface with one Gd(1)O7 pentagonal bipyramid. In the second Gd site, Gd(2) is bonded to one O(4), two equivalent O(2), and four equivalent O(1) atoms to form distorted GdO7 pentagonal bipyramids that share corners with two equivalent Gd(1)O7 pentagonal bipyramids,  a cornercorner with one Fe(1)O4 tetrahedra, edges with two equivalent Gd(2)O7 pentagonal bipyramids, edges with six equivalent Gd(1)O7 pentagonal bipyramids, and  an edgeedge with one Fe(1)O4 tetrahedra. Fe(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form FeO4 tetrahedra that share  a cornercorner with one Gd(2)O7 pentagonal bipyramid, corners with six equivalent Gd(1)O7 pentagonal bipyramids,  an edgeedge with one Gd(2)O7 pentagonal bipyramid, and edges with two equivalent Gd(1)O7 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1) and two equivalent Gd(2) atoms to form OGd4 tetrahedra that share corners with two equivalent O(1)Gd4 tetrahedra, corners with four equivalent O(4)Gd3Fe tetrahedra, corners with two equivalent O(3)Gd4Fe trigonal bipyramids, corners with six equivalent O(2)Gd3Fe trigonal pyramids, edges with three equivalent O(1)Gd4 tetrahedra,  an edgeedge with one O(3)Gd4Fe trigonal bipyramid, and  an edgeedge with one O(2)Gd3Fe trigonal pyramid. In the second O site, O(2) is bonded to one Gd(2), two equivalent Gd(1), and one Fe(1) atom to form distorted OGd3Fe trigonal pyramids that share corners with two equivalent O(4)Gd3Fe tetrahedra, corners with six equivalent O(1)Gd4 tetrahedra, corners with three equivalent O(3)Gd4Fe trigonal bipyramids, corners with two equivalent O(2)Gd3Fe trigonal pyramids,  an edgeedge with one O(4)Gd3Fe tetrahedra,  an edgeedge with one O(1)Gd4 tetrahedra,  an edgeedge with one O(3)Gd4Fe trigonal bipyramid, and  an edgeedge with one O(2)Gd3Fe trigonal pyramid. In the third O site, O(3) is bonded to four equivalent Gd(1) and one Fe(1) atom to form distorted OGd4Fe trigonal bipyramids that share  a cornercorner with one O(4)Gd3Fe tetrahedra, corners with four equivalent O(1)Gd4 tetrahedra, corners with six equivalent O(2)Gd3Fe trigonal pyramids, edges with two equivalent O(4)Gd3Fe tetrahedra, edges with two equivalent O(1)Gd4 tetrahedra, edges with two equivalent O(3)Gd4Fe trigonal bipyramids, and edges with two equivalent O(2)Gd3Fe trigonal pyramids. In the fourth O site, O(4) is bonded to one Gd(2), two equivalent Gd(1), and one Fe(1) atom to form distorted OGd3Fe tetrahedra that share corners with eight equivalent O(1)Gd4 tetrahedra,  a cornercorner with one O(3)Gd4Fe trigonal bipyramid, corners with four equivalent O(2)Gd3Fe trigonal pyramids, edges with two equivalent O(3)Gd4Fe trigonal bipyramids, and edges with two equivalent O(2)Gd3Fe trigonal pyramids. is represented by the CIF card [CIF]
data_Gd3FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.196
_cell_length_b   7.196
_cell_length_c   5.499
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.921
_symmetry_Int_Tables_number   1
_cell_volume   277.579
_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  0.587  0.798  0.041  1.0
  Gd  Gd1  1  0.202  0.413  0.041  1.0
  Gd  Gd2  1  0.413  0.202  0.541  1.0
  Gd  Gd3  1  0.798  0.587  0.541  1.0
  Gd  Gd4  1  0.103  0.897  0.996  1.0
  Gd  Gd5  1  0.897  0.103  0.496  1.0
  Fe  Fe6  1  0.309  0.691  0.573  1.0
  Fe  Fe7  1  0.691  0.309  0.073  1.0
  O  O8  1  0.175  0.145  0.269  1.0
  O  O9  1  0.855  0.825  0.269  1.0
  O  O10  1  0.825  0.855  0.769  1.0
  O  O11  1  0.145  0.175  0.769  1.0
  O  O12  1  0.605  0.081  0.249  1.0
  O  O13  1  0.919  0.395  0.249  1.0
  O  O14  1  0.395  0.919  0.749  1.0
  O  O15  1  0.081  0.605  0.749  1.0
  O  O16  1  0.539  0.461  0.221  1.0
  O  O17  1  0.461  0.539  0.721  1.0
  O  O18  1  0.284  0.716  0.235  1.0
  O  O19  1  0.716  0.284  0.735  1.0
[/CIF]
.