The compound described by Hf2ON2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to two equivalent N(1), three equivalent N(2), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing HfN5O2 pentagonal bipyramids. In the second Hf site, Hf(2) is bonded in a 8-coordinate geometry to two equivalent N(2), three equivalent N(1), and three equivalent O(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Hf(1) and three equivalent Hf(2) atoms to form a mixture of corner and edge-sharing NHf5 square pyramids. In the second N site, N(2) is bonded to two equivalent Hf(2) and three equivalent Hf(1) atoms to form a mixture of corner and edge-sharing NHf5 square pyramids. O(1) is bonded in a 5-coordinate geometry to two equivalent Hf(1) and three equivalent Hf(2) atoms. is represented by the CIF file [CIF]
data_Hf2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.096
_cell_length_b   8.420
_cell_length_c   8.482
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.074
_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
  Hf  Hf0  1  0.250  0.179  0.004  1.0
  Hf  Hf1  1  0.250  0.501  0.182  1.0
  Hf  Hf2  1  0.750  0.001  0.318  1.0
  Hf  Hf3  1  0.750  0.679  0.496  1.0
  Hf  Hf4  1  0.250  0.321  0.504  1.0
  Hf  Hf5  1  0.250  0.999  0.682  1.0
  Hf  Hf6  1  0.750  0.499  0.818  1.0
  Hf  Hf7  1  0.750  0.821  0.996  1.0
  N  N8  1  0.750  0.367  0.047  1.0
  N  N9  1  0.250  0.945  0.125  1.0
  N  N10  1  0.750  0.445  0.375  1.0
  N  N11  1  0.250  0.867  0.453  1.0
  N  N12  1  0.750  0.133  0.547  1.0
  N  N13  1  0.250  0.555  0.625  1.0
  N  N14  1  0.750  0.055  0.875  1.0
  N  N15  1  0.250  0.633  0.953  1.0
  O  O16  1  0.750  0.690  0.225  1.0
  O  O17  1  0.250  0.190  0.275  1.0
  O  O18  1  0.750  0.810  0.725  1.0
  O  O19  1  0.250  0.310  0.775  1.0
[/CIF]
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The compound described by Hf2ON2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to two equivalent N(1), three equivalent N(2), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing HfN5O2 pentagonal bipyramids. In the second Hf site, Hf(2) is bonded in a 8-coordinate geometry to two equivalent N(2), three equivalent N(1), and three equivalent O(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Hf(1) and three equivalent Hf(2) atoms to form a mixture of corner and edge-sharing NHf5 square pyramids. In the second N site, N(2) is bonded to two equivalent Hf(2) and three equivalent Hf(1) atoms to form a mixture of corner and edge-sharing NHf5 square pyramids. O(1) is bonded in a 5-coordinate geometry to two equivalent Hf(1) and three equivalent Hf(2) atoms. is represented by the CIF file [CIF]
data_Hf2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.096
_cell_length_b   8.420
_cell_length_c   8.482
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.074
_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
  Hf  Hf0  1  0.250  0.179  0.004  1.0
  Hf  Hf1  1  0.250  0.501  0.182  1.0
  Hf  Hf2  1  0.750  0.001  0.318  1.0
  Hf  Hf3  1  0.750  0.679  0.496  1.0
  Hf  Hf4  1  0.250  0.321  0.504  1.0
  Hf  Hf5  1  0.250  0.999  0.682  1.0
  Hf  Hf6  1  0.750  0.499  0.818  1.0
  Hf  Hf7  1  0.750  0.821  0.996  1.0
  N  N8  1  0.750  0.367  0.047  1.0
  N  N9  1  0.250  0.945  0.125  1.0
  N  N10  1  0.750  0.445  0.375  1.0
  N  N11  1  0.250  0.867  0.453  1.0
  N  N12  1  0.750  0.133  0.547  1.0
  N  N13  1  0.250  0.555  0.625  1.0
  N  N14  1  0.750  0.055  0.875  1.0
  N  N15  1  0.250  0.633  0.953  1.0
  O  O16  1  0.750  0.690  0.225  1.0
  O  O17  1  0.250  0.190  0.275  1.0
  O  O18  1  0.750  0.810  0.725  1.0
  O  O19  1  0.250  0.310  0.775  1.0
[/CIF]
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