The compound described by Hf3N2O3 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form distorted HfN2O4 octahedra that share corners with two equivalent Hf(1)N2O4 octahedra, corners with two equivalent Hf(2)N3O3 octahedra, and edges with six equivalent Hf(2)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 25-35°. In the second Hf site, Hf(2) is bonded to three equivalent N(1), one O(1), and two equivalent O(2) atoms to form distorted HfN3O3 octahedra that share  a cornercorner with one Hf(1)N2O4 octahedra, corners with three equivalent Hf(2)N3O3 octahedra, edges with three equivalent Hf(1)N2O4 octahedra, and edges with three equivalent Hf(2)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 25-57°. N(1) is bonded to one Hf(1) and three equivalent Hf(2) atoms to form a mixture of corner and edge-sharing NHf4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Hf(1) and two equivalent Hf(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Hf(1) and two equivalent Hf(2) atoms. is represented by the CIF file [CIF]
data_Hf3N2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.019
_cell_length_b   5.603
_cell_length_c   10.488
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.014
_symmetry_Int_Tables_number   1
_cell_volume   220.473
_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
  Hf  Hf0  1  0.192  0.384  0.250  1.0
  Hf  Hf1  1  0.144  0.288  0.943  1.0
  Hf  Hf2  1  0.144  0.288  0.557  1.0
  Hf  Hf3  1  0.808  0.616  0.750  1.0
  Hf  Hf4  1  0.856  0.712  0.057  1.0
  Hf  Hf5  1  0.856  0.712  0.443  1.0
  N  N6  1  0.301  0.602  0.421  1.0
  N  N7  1  0.301  0.602  0.079  1.0
  N  N8  1  0.699  0.398  0.579  1.0
  N  N9  1  0.699  0.398  0.921  1.0
  O  O10  1  0.248  0.497  0.750  1.0
  O  O11  1  0.044  0.087  0.116  1.0
  O  O12  1  0.044  0.087  0.384  1.0
  O  O13  1  0.752  0.503  0.250  1.0
  O  O14  1  0.956  0.913  0.884  1.0
  O  O15  1  0.956  0.913  0.616  1.0
[/CIF]
.
The compound described by Hf3N2O3 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form distorted HfN2O4 octahedra that share corners with two equivalent Hf(1)N2O4 octahedra, corners with two equivalent Hf(2)N3O3 octahedra, and edges with six equivalent Hf(2)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 25-35°. In the second Hf site, Hf(2) is bonded to three equivalent N(1), one O(1), and two equivalent O(2) atoms to form distorted HfN3O3 octahedra that share  a cornercorner with one Hf(1)N2O4 octahedra, corners with three equivalent Hf(2)N3O3 octahedra, edges with three equivalent Hf(1)N2O4 octahedra, and edges with three equivalent Hf(2)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 25-57°. N(1) is bonded to one Hf(1) and three equivalent Hf(2) atoms to form a mixture of corner and edge-sharing NHf4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Hf(1) and two equivalent Hf(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Hf(1) and two equivalent Hf(2) atoms. is represented by the CIF file [CIF]
data_Hf3N2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.019
_cell_length_b   5.603
_cell_length_c   10.488
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.014
_symmetry_Int_Tables_number   1
_cell_volume   220.473
_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
  Hf  Hf0  1  0.192  0.384  0.250  1.0
  Hf  Hf1  1  0.144  0.288  0.943  1.0
  Hf  Hf2  1  0.144  0.288  0.557  1.0
  Hf  Hf3  1  0.808  0.616  0.750  1.0
  Hf  Hf4  1  0.856  0.712  0.057  1.0
  Hf  Hf5  1  0.856  0.712  0.443  1.0
  N  N6  1  0.301  0.602  0.421  1.0
  N  N7  1  0.301  0.602  0.079  1.0
  N  N8  1  0.699  0.398  0.579  1.0
  N  N9  1  0.699  0.398  0.921  1.0
  O  O10  1  0.248  0.497  0.750  1.0
  O  O11  1  0.044  0.087  0.116  1.0
  O  O12  1  0.044  0.087  0.384  1.0
  O  O13  1  0.752  0.503  0.250  1.0
  O  O14  1  0.956  0.913  0.884  1.0
  O  O15  1  0.956  0.913  0.616  1.0
[/CIF]
.