data_Gd2CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   120.85
_cell_angle_beta   120.85
_cell_angle_gamma   88.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2CrO4
_chemical_formula_sum   'Gd4 Cr2 O8'
_cell_volume   213.33
_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  0.66  0.03  1.0
  Gd  Gd3  1  0.33  0.66  0.21  1.0
  Gd  Gd4  1  0.66  0.0  0.62  1.0
  Gd  Gd5  1  0.66  0.33  0.79  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.33  0.41  1.0
  O  O6  1  0.6  0.0  0.92  1.0
  O  O7  1  0.73  0.33  0.1  1.0
  O  O8  1  0.0  0.6  0.72  1.0
  O  O9  1  0.33  0.6  0.51  1.0
  O  O10  1  0.33  0.73  0.9  1.0
  O  O11  1  0.33  0.4  0.51  1.0
  O  O12  1  0.73  0.0  0.31  1.0
  O  O13  1  0.92  0.0  0.31  1.0

data_Gd2CrO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   6.74
_cell_angle_alpha   119.58
_cell_angle_beta   119.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2CrO4
_chemical_formula_sum   'Gd4 Cr2 O8'
_cell_volume   213.33
_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  0.38  0.0  0.04  1.0
  Gd  Gd1  1  0.46  0.66  0.78  1.0
  Gd  Gd2  1  0.53  0.33  0.19  1.0
  Gd  Gd3  1  0.63  0.66  0.63  1.0
  Cr  Cr4  1  0.0  0.0  0.0  1.0
  Cr  Cr5  1  0.91  0.33  0.91  1.0
  O  O6  1  0.08  0.0  0.67  1.0
  O  O7  1  0.09  0.6  0.41  1.0
  O  O8  1  0.22  0.33  0.95  1.0
  O  O9  1  0.69  0.0  0.41  1.0
  O  O10  1  0.69  0.0  0.61  1.0
  O  O11  1  0.83  0.73  0.15  1.0
  O  O12  1  0.88  0.6  0.88  1.0
  O  O13  1  0.89  0.4  0.21  1.0

Gd Gd Gd Gd Cr Cr O O O O O O O O
Gd Gd Gd Gd Cr Cr O O O O O O O O 0 8 o o - 0 1 o o o 0 4 o + o 1 10 o o - 1 9 o o o 1 2 o + o 2 6 o o o 2 3 o o o 2 12 o o o 2 4 + o + 3 7 o o + 4 5 o o o 4 13 - o o 4 7 - o o 4 6 - o - 4 8 o - - 4 11 o o o 5 7 - o o 5 8 o o o 5 13 - o o 5 11 o o o 6 9 o - o 6 7 o o + 6 13 o o + 6 12 o o + 8 10 o o o 9 11 o o o 9 10 o o o 10 11 o o o 10 12 o + + 12 13 o o o 
Gd2CrO4 crystallizes in the triclinic P1 space group. There are four inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 2-coordinate geometry to one Cr(1), one O(3), and one O(8) atom. The Gd(1)-Cr(1) bond length is 2.38 Å. The Gd(1)-O(3) bond length is 1.89 Å. The Gd(1)-O(8) bond length is 2.35 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 2.31 Å. The Gd(2)-O(5) bond length is 2.31 Å. In the third Gd site, Gd(3) is bonded in a 2-coordinate geometry to one Cr(1), one O(1), and one O(7) atom. The Gd(3)-Cr(1) bond length is 2.41 Å. The Gd(3)-O(1) bond length is 2.31 Å. The Gd(3)-O(7) bond length is 2.31 Å. In the fourth Gd site, Gd(4) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(6) atom. The Gd(4)-O(2) bond length is 1.89 Å. The Gd(4)-O(6) bond length is 2.35 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one Gd(1), one Gd(3), one O(1), one O(3), one O(6), and one O(8) atom. The Cr(1)-O(1) bond length is 2.48 Å. The Cr(1)-O(3) bond length is 2.37 Å. The Cr(1)-O(6) bond length is 2.64 Å. The Cr(1)-O(8) bond length is 2.40 Å. In the second Cr site, Cr(2) is bonded in a distorted tetrahedral geometry to one O(2), one O(3), one O(6), and one O(8) atom. The Cr(2)-O(2) bond length is 1.96 Å. The Cr(2)-O(3) bond length is 1.96 Å. The Cr(2)-O(6) bond length is 1.92 Å. The Cr(2)-O(8) bond length is 1.92 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Gd(3), one Cr(1), and one O(2) atom. The O(1)-O(2) bond length is 1.82 Å. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Gd(4), one Cr(2), and one O(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Gd(1), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Gd(2) and one O(6) atom. The O(4)-O(6) bond length is 1.34 Å. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Gd(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Gd(4), one Cr(1), one Cr(2), and one O(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Gd(3) and one O(8) atom. The O(7)-O(8) bond length is 1.34 Å. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Gd(1), one Cr(1), one Cr(2), and one O(7) atom.