data_Gd2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   119.23
_cell_angle_beta   119.23
_cell_angle_gamma   91.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2FeO4
_chemical_formula_sum   'Gd4 Fe2 O8'
_cell_volume   208.09
_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  Gd2  1  0.0  0.68  0.79  1.0
  Gd  Gd3  1  0.35  0.68  0.16  1.0
  Gd  Gd4  1  0.68  0.35  0.84  1.0
  Gd  Gd5  1  0.68  0.0  0.47  1.0
  Fe  Fe0  1  0.0  0.35  0.32  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  O  O6  1  0.93  0.0  0.17  1.0
  O  O7  1  0.77  0.0  0.17  1.0
  O  O8  1  0.35  0.42  0.46  1.0
  O  O9  1  0.35  0.77  0.86  1.0
  O  O10  1  0.35  0.58  0.46  1.0
  O  O11  1  0.0  0.58  0.49  1.0
  O  O12  1  0.77  0.35  0.14  1.0
  O  O13  1  0.58  0.0  0.77  1.0

data_Gd2FeO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   91.34
_cell_angle_beta   119.23
_cell_angle_gamma   119.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2FeO4
_chemical_formula_sum   'Gd4 Fe2 O8'
_cell_volume   208.09
_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  0.16  0.81  0.48  1.0
  Gd  Gd1  1  0.47  0.8  0.47  1.0
  Gd  Gd2  1  0.79  0.79  0.11  1.0
  Gd  Gd3  1  0.84  0.17  0.49  1.0
  Fe  Fe4  1  0.0  0.0  0.0  1.0
  Fe  Fe5  1  0.32  0.32  0.96  1.0
  O  O6  1  0.14  0.37  0.79  1.0
  O  O7  1  0.17  0.24  0.17  1.0
  O  O8  1  0.17  0.4  0.17  1.0
  O  O9  1  0.46  0.11  0.88  1.0
  O  O10  1  0.46  0.11  0.04  1.0
  O  O11  1  0.49  0.49  0.91  1.0
  O  O12  1  0.77  0.19  0.77  1.0
  O  O13  1  0.86  0.51  0.08  1.0

Gd Gd Gd Gd Fe Fe O O O O O O O O
Gd Gd Gd Gd Fe Fe O O O O O O O O 0 5 o + + 0 11 o o o 0 9 o o o 0 1 o o + 1 9 o o - 1 10 o o o 1 3 o + o 2 12 o o + 2 3 o o o 2 13 o o o 3 13 o o o 3 7 o o o 4 12 - o o 4 11 o o o 5 6 - o o 5 13 - o - 6 7 o o o 6 13 o o - 7 9 o - - 7 13 o o - 8 10 o o o 8 9 o o o 9 11 o o o 9 10 o o o 9 13 o + o 10 13 o + o 12 13 o o - 
Gd2FeO4 crystallizes in the triclinic P1 space group. There are four inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 3-coordinate geometry to one Fe(2), one O(4), and one O(6) atom. The Gd(1)-Fe(2) bond length is 1.91 Å. The Gd(1)-O(4) bond length is 2.16 Å. The Gd(1)-O(6) bond length is 1.76 Å. In the second Gd site, Gd(2) is bonded in a distorted linear geometry to one O(4) and one O(5) atom. The Gd(2)-O(4) bond length is 2.37 Å. The Gd(2)-O(5) bond length is 2.37 Å. In the third Gd site, Gd(3) is bonded in a 3-coordinate geometry to one O(3), one O(7), and one O(8) atom. The Gd(3)-O(3) bond length is 2.68 Å. The Gd(3)-O(7) bond length is 1.76 Å. The Gd(3)-O(8) bond length is 2.16 Å. In the fourth Gd site, Gd(4) is bonded in a distorted linear geometry to one O(2) and one O(8) atom. The Gd(4)-O(2) bond length is 2.37 Å. The Gd(4)-O(8) bond length is 2.37 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and one O(7) atom. The Fe(1)-O(2) bond length is 2.21 Å. The Fe(1)-O(3) bond length is 1.98 Å. The Fe(1)-O(5) bond length is 2.21 Å. The Fe(1)-O(6) bond length is 1.37 Å. The Fe(1)-O(7) bond length is 1.37 Å. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one Gd(1), one O(1), one O(3), and one O(8) atom. The Fe(2)-O(1) bond length is 1.43 Å. The Fe(2)-O(3) bond length is 2.64 Å. The Fe(2)-O(8) bond length is 2.44 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Fe(2) and one O(2) atom. The O(1)-O(2) bond length is 1.04 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Gd(4), one Fe(1), and one O(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Gd(3), one Fe(1), one Fe(2), and one O(5) atom. The O(3)-O(5) bond length is 1.04 Å. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Gd(1) and one Gd(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Gd(2), one Fe(1), and one O(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Gd(1) and one Fe(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Gd(3) and one Fe(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Gd(3), one Gd(4), and one Fe(2) atom.