The crystal structure 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 in a 8-coordinate geometry to two equivalent N(1), four equivalent N(2), and two equivalent O(1) atoms. In the second Hf site, Hf(2) is bonded in a 7-coordinate geometry to one 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 edge, corner, and face-sharing NHf5 square pyramids. In the second N site, N(2) is bonded to one Hf(2) and four equivalent Hf(1) atoms to form a mixture of distorted edge, corner, and face-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 Crystallographic Information File (CIF) [CIF]
data_Hf2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.092
_cell_length_b   5.885
_cell_length_c   12.226
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.466
_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  0.146  0.206  1.0
  Hf  Hf1  1  0.750  0.255  0.456  1.0
  Hf  Hf2  1  0.250  0.245  0.956  1.0
  Hf  Hf3  1  0.750  0.354  0.706  1.0
  Hf  Hf4  1  0.250  0.646  0.294  1.0
  Hf  Hf5  1  0.750  0.755  0.044  1.0
  Hf  Hf6  1  0.250  0.745  0.544  1.0
  Hf  Hf7  1  0.750  0.854  0.794  1.0
  N  N8  1  0.750  0.136  0.068  1.0
  N  N9  1  0.250  0.147  0.781  1.0
  N  N10  1  0.750  0.353  0.281  1.0
  N  N11  1  0.250  0.364  0.568  1.0
  N  N12  1  0.750  0.636  0.432  1.0
  N  N13  1  0.250  0.647  0.719  1.0
  N  N14  1  0.750  0.853  0.219  1.0
  N  N15  1  0.250  0.864  0.932  1.0
  O  O16  1  0.250  0.030  0.399  1.0
  O  O17  1  0.750  0.470  0.899  1.0
  O  O18  1  0.250  0.530  0.101  1.0
  O  O19  1  0.750  0.970  0.601  1.0
[/CIF]
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The crystal structure 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 in a 8-coordinate geometry to two equivalent N(1), four equivalent N(2), and two equivalent O(1) atoms. In the second Hf site, Hf(2) is bonded in a 7-coordinate geometry to one 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 edge, corner, and face-sharing NHf5 square pyramids. In the second N site, N(2) is bonded to one Hf(2) and four equivalent Hf(1) atoms to form a mixture of distorted edge, corner, and face-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 Crystallographic Information File (CIF) [CIF]
data_Hf2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.092
_cell_length_b   5.885
_cell_length_c   12.226
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.466
_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  0.146  0.206  1.0
  Hf  Hf1  1  0.750  0.255  0.456  1.0
  Hf  Hf2  1  0.250  0.245  0.956  1.0
  Hf  Hf3  1  0.750  0.354  0.706  1.0
  Hf  Hf4  1  0.250  0.646  0.294  1.0
  Hf  Hf5  1  0.750  0.755  0.044  1.0
  Hf  Hf6  1  0.250  0.745  0.544  1.0
  Hf  Hf7  1  0.750  0.854  0.794  1.0
  N  N8  1  0.750  0.136  0.068  1.0
  N  N9  1  0.250  0.147  0.781  1.0
  N  N10  1  0.750  0.353  0.281  1.0
  N  N11  1  0.250  0.364  0.568  1.0
  N  N12  1  0.750  0.636  0.432  1.0
  N  N13  1  0.250  0.647  0.719  1.0
  N  N14  1  0.750  0.853  0.219  1.0
  N  N15  1  0.250  0.864  0.932  1.0
  O  O16  1  0.250  0.030  0.399  1.0
  O  O17  1  0.750  0.470  0.899  1.0
  O  O18  1  0.250  0.530  0.101  1.0
  O  O19  1  0.750  0.970  0.601  1.0
[/CIF]
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