The material structure described by Hf2ON2 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to one Hf(15), one N(1), one N(14), one N(6), one O(2), one O(6), and one O(7) atom. In the second Hf site, Hf(2) is bonded in a distorted hexagonal planar geometry to one N(1), one N(13), one N(16), one N(5), one N(8), and one O(6) atom. In the third Hf site, Hf(3) is bonded in a 5-coordinate geometry to one N(10), one N(12), one N(4), one N(9), and one O(8) atom. In the fourth Hf site, Hf(4) is bonded in a 10-coordinate geometry to one Hf(12), one Hf(13), one Hf(16), one N(13), one N(15), one N(16), one N(2), one N(5), one O(1), and one O(5) atom. In the fifth Hf site, Hf(5) is bonded in a 4-coordinate geometry to one N(10), one N(3), one N(4), and one N(6) atom. In the sixth Hf site, Hf(6) is bonded in a 6-coordinate geometry to one N(12), one N(9), one O(2), one O(3), one O(4), and one O(8) atom. In the seventh Hf site, Hf(7) is bonded in a 5-coordinate geometry to one Hf(15), one N(3), one N(7), one N(8), one O(3), and one O(4) atom. In the eighth Hf site, Hf(8) is bonded in a 1-coordinate geometry to one N(1), one N(10), one N(5), one N(6), and one O(6) atom. In the ninth Hf site, Hf(9) is bonded in a 1-coordinate geometry to one N(13), one N(3), one N(4), and one N(8) atom. In the tenth Hf site, Hf(10) is bonded in a 6-coordinate geometry to one N(11), one N(2), one O(1), one O(3), one O(4), and one O(8) atom. In the eleventh Hf site, Hf(11) is bonded in a 6-coordinate geometry to one N(12), one N(14), one N(9), one O(2), one O(5), and one O(7) atom. In the twelfth Hf site, Hf(12) is bonded in a 4-coordinate geometry to one Hf(4), one N(10), one N(12), one N(15), one N(5), and one O(5) atom. In the thirteenth Hf site, Hf(13) is bonded in a 2-coordinate geometry to one Hf(15), one Hf(4), one N(11), one N(14), one N(15), one N(2), one N(7), one O(1), one O(5), and one O(7) atom. In the fourteenth Hf site, Hf(14) is bonded in a 5-coordinate geometry to one N(3), one N(6), one O(2), one O(3), and one O(4) atom. In the fifteenth Hf site, Hf(15) is bonded in a 10-coordinate geometry to one Hf(1), one Hf(13), one Hf(7), one N(1), one N(11), one N(14), one N(7), one N(8), one O(6), and one O(7) atom. In the sixteenth Hf site, Hf(16) is bonded in a 6-coordinate geometry to one Hf(4), one N(13), one N(16), one N(2), one N(4), one O(1), and one O(8) atom. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Hf(1), one Hf(15), one Hf(2), one Hf(8), one N(8), and one O(6) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Hf(10), one Hf(13), one Hf(16), and one Hf(4) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Hf(14), one Hf(5), one Hf(7), one Hf(9), and one O(5) atom. In the fourth N site, N(4) is bonded in a distorted see-saw-like geometry to one Hf(16), one Hf(3), one Hf(5), and one Hf(9) atom. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Hf(12), one Hf(2), one Hf(4), one Hf(8), and one N(16) atom. In the sixth N site, N(6) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(14), one Hf(5), and one Hf(8) atom. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Hf(13), one Hf(15), and one Hf(7) atom. In the eighth N site, N(8) is bonded in a 5-coordinate geometry to one Hf(15), one Hf(2), one Hf(7), one Hf(9), and one N(1) atom. In the ninth N site, N(9) is bonded in a 2-coordinate geometry to one Hf(11), one Hf(3), and one Hf(6) atom. In the tenth N site, N(10) is bonded in a 4-coordinate geometry to one Hf(12), one Hf(3), one Hf(5), and one Hf(8) atom. In the eleventh N site, N(11) is bonded in a 3-coordinate geometry to one Hf(10), one Hf(13), and one Hf(15) atom. In the twelfth N site, N(12) is bonded in a 4-coordinate geometry to one Hf(11), one Hf(12), one Hf(3), and one Hf(6) atom. In the thirteenth N site, N(13) is bonded in a 3-coordinate geometry to one Hf(16), one Hf(2), one Hf(4), and one Hf(9) atom. In the fourteenth N site, N(14) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(11), one Hf(13), and one Hf(15) atom. In the fifteenth N site, N(15) is bonded in a 3-coordinate geometry to one Hf(12), one Hf(13), and one Hf(4) atom. In the sixteenth N site, N(16) is bonded in a 3-coordinate geometry to one Hf(16), one Hf(2), one Hf(4), and one N(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Hf(10), one Hf(13), one Hf(16), and one Hf(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(11), one Hf(14), and one Hf(6) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Hf(10), one Hf(14), one Hf(6), and one Hf(7) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Hf(10), one Hf(14), one Hf(6), and one Hf(7) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Hf(11), one Hf(12), one Hf(13), one Hf(4), and one N(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Hf(1), one Hf(15), one Hf(2), one Hf(8), and one N(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(11), one Hf(13), and one Hf(15) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Hf(10), one Hf(16), one Hf(3), and one Hf(6) atom. is represented by the CIF card [CIF]
data_Hf2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.723
_cell_length_b   8.724
_cell_length_c   8.734
_cell_angle_alpha   109.577
_cell_angle_beta   109.291
_cell_angle_gamma   109.416
_symmetry_Int_Tables_number   1
_cell_volume   512.521
_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  0.240  0.784  0.967  1.0
  Hf  Hf1  1  0.001  0.007  0.989  1.0
  Hf  Hf2  1  0.468  0.254  0.776  1.0
  Hf  Hf3  1  0.975  0.250  0.279  1.0
  Hf  Hf4  1  0.500  0.999  0.503  1.0
  Hf  Hf5  1  0.497  0.498  0.991  1.0
  Hf  Hf6  1  0.748  0.717  0.542  1.0
  Hf  Hf7  1  0.281  0.030  0.267  1.0
  Hf  Hf8  1  0.715  0.966  0.746  1.0
  Hf  Hf9  1  0.793  0.534  0.251  1.0
  Hf  Hf10  1  0.213  0.459  0.747  1.0
  Hf  Hf11  1  0.254  0.288  0.462  1.0
  Hf  Hf12  1  0.002  0.511  0.499  1.0
  Hf  Hf13  1  0.534  0.756  0.217  1.0
  Hf  Hf14  1  0.028  0.750  0.716  1.0
  Hf  Hf15  1  0.759  0.213  0.028  1.0
  N  N16  1  0.992  0.763  0.969  1.0
  N  N17  1  0.048  0.531  0.226  1.0
  N  N18  1  0.743  0.971  0.482  1.0
  N  N19  1  0.507  0.038  0.734  1.0
  N  N20  1  0.231  0.264  0.229  1.0
  N  N21  1  0.493  0.958  0.271  1.0
  N  N22  1  0.725  0.455  0.532  1.0
  N  N23  1  0.768  0.736  0.777  1.0
  N  N24  1  0.238  0.224  0.729  1.0
  N  N25  1  0.263  0.033  0.515  1.0
  N  N26  1  0.034  0.775  0.450  1.0
  N  N27  1  0.461  0.512  0.767  1.0
  N  N28  1  0.775  0.011  0.951  1.0
  N  N29  1  0.952  0.467  0.773  1.0
  N  N30  1  0.274  0.543  0.463  1.0
  N  N31  1  0.006  0.235  0.038  1.0
  O  O32  1  0.719  0.275  0.264  1.0
  O  O33  1  0.453  0.723  0.017  1.0
  O  O34  1  0.754  0.768  0.274  1.0
  O  O35  1  0.540  0.490  0.235  1.0
  O  O36  1  0.967  0.223  0.550  1.0
  O  O37  1  0.229  0.989  0.048  1.0
  O  O38  1  0.275  0.727  0.739  1.0
  O  O39  1  0.544  0.273  0.988  1.0
[/CIF]
.
The material structure described by Hf2ON2 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to one Hf(15), one N(1), one N(14), one N(6), one O(2), one O(6), and one O(7) atom. In the second Hf site, Hf(2) is bonded in a distorted hexagonal planar geometry to one N(1), one N(13), one N(16), one N(5), one N(8), and one O(6) atom. In the third Hf site, Hf(3) is bonded in a 5-coordinate geometry to one N(10), one N(12), one N(4), one N(9), and one O(8) atom. In the fourth Hf site, Hf(4) is bonded in a 10-coordinate geometry to one Hf(12), one Hf(13), one Hf(16), one N(13), one N(15), one N(16), one N(2), one N(5), one O(1), and one O(5) atom. In the fifth Hf site, Hf(5) is bonded in a 4-coordinate geometry to one N(10), one N(3), one N(4), and one N(6) atom. In the sixth Hf site, Hf(6) is bonded in a 6-coordinate geometry to one N(12), one N(9), one O(2), one O(3), one O(4), and one O(8) atom. In the seventh Hf site, Hf(7) is bonded in a 5-coordinate geometry to one Hf(15), one N(3), one N(7), one N(8), one O(3), and one O(4) atom. In the eighth Hf site, Hf(8) is bonded in a 1-coordinate geometry to one N(1), one N(10), one N(5), one N(6), and one O(6) atom. In the ninth Hf site, Hf(9) is bonded in a 1-coordinate geometry to one N(13), one N(3), one N(4), and one N(8) atom. In the tenth Hf site, Hf(10) is bonded in a 6-coordinate geometry to one N(11), one N(2), one O(1), one O(3), one O(4), and one O(8) atom. In the eleventh Hf site, Hf(11) is bonded in a 6-coordinate geometry to one N(12), one N(14), one N(9), one O(2), one O(5), and one O(7) atom. In the twelfth Hf site, Hf(12) is bonded in a 4-coordinate geometry to one Hf(4), one N(10), one N(12), one N(15), one N(5), and one O(5) atom. In the thirteenth Hf site, Hf(13) is bonded in a 2-coordinate geometry to one Hf(15), one Hf(4), one N(11), one N(14), one N(15), one N(2), one N(7), one O(1), one O(5), and one O(7) atom. In the fourteenth Hf site, Hf(14) is bonded in a 5-coordinate geometry to one N(3), one N(6), one O(2), one O(3), and one O(4) atom. In the fifteenth Hf site, Hf(15) is bonded in a 10-coordinate geometry to one Hf(1), one Hf(13), one Hf(7), one N(1), one N(11), one N(14), one N(7), one N(8), one O(6), and one O(7) atom. In the sixteenth Hf site, Hf(16) is bonded in a 6-coordinate geometry to one Hf(4), one N(13), one N(16), one N(2), one N(4), one O(1), and one O(8) atom. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Hf(1), one Hf(15), one Hf(2), one Hf(8), one N(8), and one O(6) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Hf(10), one Hf(13), one Hf(16), and one Hf(4) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Hf(14), one Hf(5), one Hf(7), one Hf(9), and one O(5) atom. In the fourth N site, N(4) is bonded in a distorted see-saw-like geometry to one Hf(16), one Hf(3), one Hf(5), and one Hf(9) atom. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Hf(12), one Hf(2), one Hf(4), one Hf(8), and one N(16) atom. In the sixth N site, N(6) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(14), one Hf(5), and one Hf(8) atom. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Hf(13), one Hf(15), and one Hf(7) atom. In the eighth N site, N(8) is bonded in a 5-coordinate geometry to one Hf(15), one Hf(2), one Hf(7), one Hf(9), and one N(1) atom. In the ninth N site, N(9) is bonded in a 2-coordinate geometry to one Hf(11), one Hf(3), and one Hf(6) atom. In the tenth N site, N(10) is bonded in a 4-coordinate geometry to one Hf(12), one Hf(3), one Hf(5), and one Hf(8) atom. In the eleventh N site, N(11) is bonded in a 3-coordinate geometry to one Hf(10), one Hf(13), and one Hf(15) atom. In the twelfth N site, N(12) is bonded in a 4-coordinate geometry to one Hf(11), one Hf(12), one Hf(3), and one Hf(6) atom. In the thirteenth N site, N(13) is bonded in a 3-coordinate geometry to one Hf(16), one Hf(2), one Hf(4), and one Hf(9) atom. In the fourteenth N site, N(14) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(11), one Hf(13), and one Hf(15) atom. In the fifteenth N site, N(15) is bonded in a 3-coordinate geometry to one Hf(12), one Hf(13), and one Hf(4) atom. In the sixteenth N site, N(16) is bonded in a 3-coordinate geometry to one Hf(16), one Hf(2), one Hf(4), and one N(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Hf(10), one Hf(13), one Hf(16), and one Hf(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(11), one Hf(14), and one Hf(6) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Hf(10), one Hf(14), one Hf(6), and one Hf(7) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Hf(10), one Hf(14), one Hf(6), and one Hf(7) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Hf(11), one Hf(12), one Hf(13), one Hf(4), and one N(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Hf(1), one Hf(15), one Hf(2), one Hf(8), and one N(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(11), one Hf(13), and one Hf(15) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Hf(10), one Hf(16), one Hf(3), and one Hf(6) atom. is represented by the CIF card [CIF]
data_Hf2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.723
_cell_length_b   8.724
_cell_length_c   8.734
_cell_angle_alpha   109.577
_cell_angle_beta   109.291
_cell_angle_gamma   109.416
_symmetry_Int_Tables_number   1
_cell_volume   512.521
_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  0.240  0.784  0.967  1.0
  Hf  Hf1  1  0.001  0.007  0.989  1.0
  Hf  Hf2  1  0.468  0.254  0.776  1.0
  Hf  Hf3  1  0.975  0.250  0.279  1.0
  Hf  Hf4  1  0.500  0.999  0.503  1.0
  Hf  Hf5  1  0.497  0.498  0.991  1.0
  Hf  Hf6  1  0.748  0.717  0.542  1.0
  Hf  Hf7  1  0.281  0.030  0.267  1.0
  Hf  Hf8  1  0.715  0.966  0.746  1.0
  Hf  Hf9  1  0.793  0.534  0.251  1.0
  Hf  Hf10  1  0.213  0.459  0.747  1.0
  Hf  Hf11  1  0.254  0.288  0.462  1.0
  Hf  Hf12  1  0.002  0.511  0.499  1.0
  Hf  Hf13  1  0.534  0.756  0.217  1.0
  Hf  Hf14  1  0.028  0.750  0.716  1.0
  Hf  Hf15  1  0.759  0.213  0.028  1.0
  N  N16  1  0.992  0.763  0.969  1.0
  N  N17  1  0.048  0.531  0.226  1.0
  N  N18  1  0.743  0.971  0.482  1.0
  N  N19  1  0.507  0.038  0.734  1.0
  N  N20  1  0.231  0.264  0.229  1.0
  N  N21  1  0.493  0.958  0.271  1.0
  N  N22  1  0.725  0.455  0.532  1.0
  N  N23  1  0.768  0.736  0.777  1.0
  N  N24  1  0.238  0.224  0.729  1.0
  N  N25  1  0.263  0.033  0.515  1.0
  N  N26  1  0.034  0.775  0.450  1.0
  N  N27  1  0.461  0.512  0.767  1.0
  N  N28  1  0.775  0.011  0.951  1.0
  N  N29  1  0.952  0.467  0.773  1.0
  N  N30  1  0.274  0.543  0.463  1.0
  N  N31  1  0.006  0.235  0.038  1.0
  O  O32  1  0.719  0.275  0.264  1.0
  O  O33  1  0.453  0.723  0.017  1.0
  O  O34  1  0.754  0.768  0.274  1.0
  O  O35  1  0.540  0.490  0.235  1.0
  O  O36  1  0.967  0.223  0.550  1.0
  O  O37  1  0.229  0.989  0.048  1.0
  O  O38  1  0.275  0.727  0.739  1.0
  O  O39  1  0.544  0.273  0.988  1.0
[/CIF]
.