data_DyCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   7.66
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyCrO3
_chemical_formula_sum   'Dy4 Cr4 O12'
_cell_volume   227.91
_cell_formula_units_Z   4
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
  Dy  Dy0  1  0.42  0.74  0.1  1.0
  Dy  Dy1  1  0.38  0.91  0.76  1.0
  Dy  Dy2  1  0.23  0.74  0.55  1.0
  Dy  Dy3  1  0.19  0.91  0.2  1.0
  Cr  Cr4  1  0.81  0.83  0.65  1.0
  Cr  Cr5  1  0.0  0.83  0.0  1.0
  Cr  Cr6  1  0.0  0.0  0.0  1.0
  Cr  Cr7  1  0.81  0.0  0.65  1.0
  O  O8  1  0.51  0.38  0.67  1.0
  O  O9  1  0.91  0.27  0.02  1.0
  O  O10  1  0.7  0.44  0.28  1.0
  O  O11  1  0.1  0.21  0.63  1.0
  O  O12  1  0.1  0.27  0.63  1.0
  O  O13  1  0.7  0.38  0.28  1.0
  O  O14  1  0.91  0.21  0.02  1.0
  O  O15  1  0.51  0.44  0.67  1.0
  O  O16  1  0.38  0.91  0.6  1.0
  O  O17  1  0.04  0.74  0.25  1.0
  O  O18  1  0.58  0.91  0.05  1.0
  O  O19  1  0.23  0.74  0.7  1.0

data_DyCrO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.3
_cell_length_b   5.61
_cell_length_c   7.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyCrO3
_chemical_formula_sum   'Dy4 Cr4 O12'
_cell_volume   227.91
_cell_formula_units_Z   4
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
  Dy  Dy0  1  0.1  0.42  0.74  1.0
  Dy  Dy1  1  0.2  0.19  0.91  1.0
  Dy  Dy2  1  0.55  0.23  0.74  1.0
  Dy  Dy3  1  0.76  0.38  0.91  1.0
  Cr  Cr4  1  0.0  0.0  0.0  1.0
  Cr  Cr5  1  0.0  0.0  0.83  1.0
  Cr  Cr6  1  0.65  0.81  0.0  1.0
  Cr  Cr7  1  0.65  0.81  0.83  1.0
  O  O8  1  0.02  0.91  0.21  1.0
  O  O9  1  0.02  0.91  0.27  1.0
  O  O10  1  0.05  0.58  0.91  1.0
  O  O11  1  0.25  0.04  0.74  1.0
  O  O12  1  0.28  0.7  0.38  1.0
  O  O13  1  0.28  0.7  0.44  1.0
  O  O14  1  0.6  0.38  0.91  1.0
  O  O15  1  0.63  0.1  0.21  1.0
  O  O16  1  0.63  0.1  0.27  1.0
  O  O17  1  0.67  0.51  0.38  1.0
  O  O18  1  0.67  0.51  0.44  1.0
  O  O19  1  0.7  0.23  0.74  1.0

Dy Dy Dy Dy Cr Cr Cr Cr O O O O O O O O O O O O
Dy Dy Dy Dy Cr Cr Cr Cr O O O O O O O O O O O O 0 18 o o o 1 16 o o o 1 18 o o + 2 19 o o o 3 5 o o o 3 17 o o o 3 6 o + o 4 7 o + o 5 17 o o o 5 6 o + o 8 15 o o o 9 14 o o o 10 13 o o o 11 12 o o o 
DyCrO3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one 7782-44-7 molecule, one chromium;hydrogen peroxide molecule, one Dy2Cr3O4 cluster, and one DyO2 cluster. In the Dy2Cr3O4 cluster, there are two inequivalent Dy sites. In the first Dy site, Dy(3) is bonded in a distorted single-bond geometry to one O(10) and one O(12) atom. The Dy(3)-O(10) bond length is 1.90 Å. The Dy(3)-O(12) bond length is 0.82 Å. In the second Dy site, Dy(4) is bonded in a distorted single-bond geometry to one O(10) atom. The Dy(4)-O(10) bond length is 1.59 Å. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to one Cr(4) and one O(10) atom. The Cr(1)-Cr(4) bond length is 1.32 Å. The Cr(1)-O(10) bond length is 2.56 Å. In the second Cr site, Cr(2) is bonded in a 1-coordinate geometry to one O(10) atom. The Cr(2)-O(10) bond length is 1.52 Å. In the third Cr site, Cr(4) is bonded in a 2-coordinate geometry to one Cr(1) and one O(4) atom. The Cr(4)-O(4) bond length is 2.33 Å. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 2-coordinate geometry to one Cr(4) and one O(5) atom. The O(4)-O(5) bond length is 0.47 Å. In the second O site, O(5) is bonded in a single-bond geometry to one O(4) atom. In the third O site, O(10) is bonded in a 3-coordinate geometry to one Dy(3), one Dy(4), one Cr(1), and one Cr(2) atom. In the fourth O site, O(12) is bonded in a distorted single-bond geometry to one Dy(3) atom. In the DyO2 cluster, there are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a distorted single-bond geometry to one O(11) and one O(3) atom. The Dy(1)-O(11) bond length is 1.59 Å. The Dy(1)-O(3) bond length is 2.92 Å. In the second Dy site, Dy(2) is bonded in a distorted single-bond geometry to one O(11) and one O(9) atom. The Dy(2)-O(11) bond length is 1.90 Å. The Dy(2)-O(9) bond length is 0.82 Å. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Dy(1) and one O(6) atom. The O(3)-O(6) bond length is 0.47 Å. In the second O site, O(6) is bonded in a single-bond geometry to one O(3) atom. In the third O site, O(9) is bonded in a distorted single-bond geometry to one Dy(2) atom. In the fourth O site, O(11) is bonded in a 2-coordinate geometry to one Dy(1) and one Dy(2) atom.