The compound described by Hf2ON2 is beta indium sulfide-derived structured and crystallizes in the tetragonal I4_1/amd space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to four equivalent N(1) and two equivalent O(1) atoms to form HfN4O2 octahedra that share corners with four equivalent Hf(3)N4 tetrahedra, edges with two equivalent Hf(1)N4O2 octahedra, and edges with four equivalent Hf(2)N4O2 octahedra. In the second Hf site, Hf(2) is bonded to one N(1), three equivalent N(2), and two equivalent O(1) atoms to form HfN4O2 octahedra that share corners with four equivalent Hf(3)N4 tetrahedra, edges with two equivalent Hf(1)N4O2 octahedra, and edges with four equivalent Hf(2)N4O2 octahedra. In the third Hf site, Hf(3) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form corner-sharing HfN4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-58°. There are two inequivalent N sites. In the first N site, N(2) is bonded to one Hf(3) and three equivalent Hf(2) atoms to form a mixture of distorted corner and edge-sharing NHf4 trigonal pyramids. In the second N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to one Hf(2), one Hf(3), and two equivalent Hf(1) atoms. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Hf(1) and two equivalent Hf(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.399
_cell_length_b   14.399
_cell_length_c   14.399
_cell_angle_alpha   154.229
_cell_angle_beta   154.229
_cell_angle_gamma   36.767
_symmetry_Int_Tables_number   1
_cell_volume   563.599
_cell_formula_units_Z   8
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  0.875  0.125  0.750  1.0
  Hf  Hf1  1  0.375  0.125  0.250  1.0
  Hf  Hf2  1  0.875  0.625  0.750  1.0
  Hf  Hf3  1  0.208  0.459  0.251  1.0
  Hf  Hf4  1  0.541  0.792  0.749  1.0
  Hf  Hf5  1  0.418  0.918  0.500  1.0
  Hf  Hf6  1  0.043  0.792  0.251  1.0
  Hf  Hf7  1  0.668  0.668  0.000  1.0
  Hf  Hf8  1  0.208  0.957  0.749  1.0
  Hf  Hf9  1  0.875  0.125  0.250  1.0
  Hf  Hf10  1  0.542  0.293  0.751  1.0
  Hf  Hf11  1  0.082  0.582  0.500  1.0
  Hf  Hf12  1  0.332  0.332  0.000  1.0
  Hf  Hf13  1  0.209  0.458  0.751  1.0
  Hf  Hf14  1  0.707  0.458  0.249  1.0
  Hf  Hf15  1  0.542  0.791  0.249  1.0
  N  N16  1  0.126  0.363  0.237  1.0
  N  N17  1  0.288  0.554  0.266  1.0
  N  N18  1  0.978  0.712  0.266  1.0
  N  N19  1  0.446  0.712  0.734  1.0
  N  N20  1  0.110  0.874  0.237  1.0
  N  N21  1  0.637  0.874  0.763  1.0
  N  N22  1  0.288  0.022  0.734  1.0
  N  N23  1  0.624  0.360  0.737  1.0
  N  N24  1  0.126  0.890  0.763  1.0
  N  N25  1  0.462  0.228  0.766  1.0
  N  N26  1  0.113  0.376  0.737  1.0
  N  N27  1  0.304  0.538  0.766  1.0
  N  N28  1  0.772  0.538  0.234  1.0
  N  N29  1  0.640  0.376  0.263  1.0
  N  N30  1  0.462  0.696  0.234  1.0
  N  N31  1  0.624  0.887  0.263  1.0
  O  O32  1  0.799  0.592  0.792  1.0
  O  O33  1  0.342  0.049  0.292  1.0
  O  O34  1  0.757  0.049  0.708  1.0
  O  O35  1  0.799  0.007  0.208  1.0
  O  O36  1  0.951  0.243  0.292  1.0
  O  O37  1  0.993  0.201  0.792  1.0
  O  O38  1  0.408  0.201  0.208  1.0
  O  O39  1  0.951  0.658  0.708  1.0
[/CIF]
.
The compound described by Hf2ON2 is beta indium sulfide-derived structured and crystallizes in the tetragonal I4_1/amd space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to four equivalent N(1) and two equivalent O(1) atoms to form HfN4O2 octahedra that share corners with four equivalent Hf(3)N4 tetrahedra, edges with two equivalent Hf(1)N4O2 octahedra, and edges with four equivalent Hf(2)N4O2 octahedra. In the second Hf site, Hf(2) is bonded to one N(1), three equivalent N(2), and two equivalent O(1) atoms to form HfN4O2 octahedra that share corners with four equivalent Hf(3)N4 tetrahedra, edges with two equivalent Hf(1)N4O2 octahedra, and edges with four equivalent Hf(2)N4O2 octahedra. In the third Hf site, Hf(3) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form corner-sharing HfN4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-58°. There are two inequivalent N sites. In the first N site, N(2) is bonded to one Hf(3) and three equivalent Hf(2) atoms to form a mixture of distorted corner and edge-sharing NHf4 trigonal pyramids. In the second N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to one Hf(2), one Hf(3), and two equivalent Hf(1) atoms. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Hf(1) and two equivalent Hf(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.399
_cell_length_b   14.399
_cell_length_c   14.399
_cell_angle_alpha   154.229
_cell_angle_beta   154.229
_cell_angle_gamma   36.767
_symmetry_Int_Tables_number   1
_cell_volume   563.599
_cell_formula_units_Z   8
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  0.875  0.125  0.750  1.0
  Hf  Hf1  1  0.375  0.125  0.250  1.0
  Hf  Hf2  1  0.875  0.625  0.750  1.0
  Hf  Hf3  1  0.208  0.459  0.251  1.0
  Hf  Hf4  1  0.541  0.792  0.749  1.0
  Hf  Hf5  1  0.418  0.918  0.500  1.0
  Hf  Hf6  1  0.043  0.792  0.251  1.0
  Hf  Hf7  1  0.668  0.668  0.000  1.0
  Hf  Hf8  1  0.208  0.957  0.749  1.0
  Hf  Hf9  1  0.875  0.125  0.250  1.0
  Hf  Hf10  1  0.542  0.293  0.751  1.0
  Hf  Hf11  1  0.082  0.582  0.500  1.0
  Hf  Hf12  1  0.332  0.332  0.000  1.0
  Hf  Hf13  1  0.209  0.458  0.751  1.0
  Hf  Hf14  1  0.707  0.458  0.249  1.0
  Hf  Hf15  1  0.542  0.791  0.249  1.0
  N  N16  1  0.126  0.363  0.237  1.0
  N  N17  1  0.288  0.554  0.266  1.0
  N  N18  1  0.978  0.712  0.266  1.0
  N  N19  1  0.446  0.712  0.734  1.0
  N  N20  1  0.110  0.874  0.237  1.0
  N  N21  1  0.637  0.874  0.763  1.0
  N  N22  1  0.288  0.022  0.734  1.0
  N  N23  1  0.624  0.360  0.737  1.0
  N  N24  1  0.126  0.890  0.763  1.0
  N  N25  1  0.462  0.228  0.766  1.0
  N  N26  1  0.113  0.376  0.737  1.0
  N  N27  1  0.304  0.538  0.766  1.0
  N  N28  1  0.772  0.538  0.234  1.0
  N  N29  1  0.640  0.376  0.263  1.0
  N  N30  1  0.462  0.696  0.234  1.0
  N  N31  1  0.624  0.887  0.263  1.0
  O  O32  1  0.799  0.592  0.792  1.0
  O  O33  1  0.342  0.049  0.292  1.0
  O  O34  1  0.757  0.049  0.708  1.0
  O  O35  1  0.799  0.007  0.208  1.0
  O  O36  1  0.951  0.243  0.292  1.0
  O  O37  1  0.993  0.201  0.792  1.0
  O  O38  1  0.408  0.201  0.208  1.0
  O  O39  1  0.951  0.658  0.708  1.0
[/CIF]
.