The compound described by Zr2ON2 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to one N(12), one N(14), one N(2), one O(3), one O(4), one O(5), and one O(8) atom. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to one N(1), one N(15), one N(16), one N(7), one N(8), one O(1), one O(5), and one O(6) atom. In the third Zr site, Zr(3) is bonded in a 4-coordinate geometry to one N(11), one N(15), one N(4), and one O(2) atom. In the fourth Zr site, Zr(4) is bonded in a 4-coordinate geometry to one N(1), one N(13), one N(3), one N(7), and one O(8) atom. In the fifth Zr site, Zr(5) is bonded in a distorted bent 150 degrees geometry to one N(11), one N(14), and one N(9) atom. In the sixth Zr site, Zr(6) is bonded in a 1-coordinate geometry to one N(12), one N(4), one O(1), and one O(7) atom. In the seventh Zr site, Zr(7) is bonded in a square co-planar geometry to one N(11), one N(13), one N(2), and one O(3) atom. In the eighth Zr site, Zr(8) is bonded in a 4-coordinate geometry to one N(1), one N(15), one N(4), and one N(9) atom. In the ninth Zr site, Zr(9) is bonded in a 4-coordinate geometry to one N(10), one N(16), one N(5), and one O(1) atom. In the tenth Zr site, Zr(10) is bonded in a 1-coordinate geometry to one N(5), one N(9), one O(7), and one O(8) atom. In the eleventh Zr site, Zr(11) is bonded in a square co-planar geometry to one N(12), one N(14), one N(3), and one O(2) atom. In the twelfth Zr site, Zr(12) is bonded in a 1-coordinate geometry to one N(10), one N(15), one N(3), and one O(8) atom. In the thirteenth Zr site, Zr(13) is bonded in a distorted bent 150 degrees geometry to one N(1), one N(12), one N(2), one N(5), one O(2), and one O(4) atom. In the fourteenth Zr site, Zr(14) is bonded in a 4-coordinate geometry to one N(10), one N(14), one N(2), and one O(1) atom. In the fifteenth Zr site, Zr(15) is bonded in a 4-coordinate geometry to one N(12), one O(3), one O(6), and one O(7) atom. In the sixteenth Zr site, Zr(16) is bonded in a 7-coordinate geometry to one N(11), one N(13), one N(3), one N(6), one N(8), one O(2), and one O(7) atom. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Zr(13), one Zr(2), one Zr(4), one Zr(8), and one N(7) atom. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Zr(1), one Zr(13), one Zr(14), one Zr(7), and one O(4) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Zr(11), one Zr(12), one Zr(16), and one Zr(4) atom. In the fourth N site, N(4) is bonded in a 1-coordinate geometry to one Zr(3), one Zr(6), and one Zr(8) atom. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Zr(10), one Zr(13), and one Zr(9) atom. In the sixth N site, N(6) is bonded in a single-bond geometry to one Zr(16) and one N(11) atom. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Zr(2), one Zr(4), and one N(1) atom. In the eighth N site, N(8) is bonded in a 2-coordinate geometry to one Zr(16) and one Zr(2) atom. In the ninth N site, N(9) is bonded in a distorted T-shaped geometry to one Zr(10), one Zr(5), and one Zr(8) atom. In the tenth N site, N(10) is bonded in a 1-coordinate geometry to one Zr(12), one Zr(14), and one Zr(9) atom. In the eleventh N site, N(11) is bonded in a 5-coordinate geometry to one Zr(16), one Zr(3), one Zr(5), one Zr(7), and one N(6) atom. In the twelfth N site, N(12) is bonded in a 5-coordinate geometry to one Zr(1), one Zr(11), one Zr(13), one Zr(15), and one Zr(6) atom. In the thirteenth N site, N(13) is bonded in a 1-coordinate geometry to one Zr(16), one Zr(4), and one Zr(7) atom. In the fourteenth N site, N(14) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(11), one Zr(14), and one Zr(5) atom. In the fifteenth N site, N(15) is bonded in a 4-coordinate geometry to one Zr(12), one Zr(2), one Zr(3), and one Zr(8) atom. In the sixteenth N site, N(16) is bonded in a 1-coordinate geometry to one Zr(2), one Zr(9), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Zr(14), one Zr(2), one Zr(6), and one Zr(9) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Zr(11), one Zr(13), one Zr(16), and one Zr(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(15), and one Zr(7) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(13), and one N(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Zr(1) and one Zr(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Zr(15), one Zr(2), and one N(16) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Zr(10), one Zr(15), one Zr(16), and one Zr(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Zr(1), one Zr(10), one Zr(12), and one Zr(4) atom. is represented by the CIF card [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.867
_cell_length_b   8.876
_cell_length_c   8.878
_cell_angle_alpha   109.657
_cell_angle_beta   109.360
_cell_angle_gamma   109.337
_symmetry_Int_Tables_number   1
_cell_volume   538.280
_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
  Zr  Zr0  1  0.465  0.709  0.249  1.0
  Zr  Zr1  1  0.010  0.017  0.490  1.0
  Zr  Zr2  1  0.788  0.822  0.968  1.0
  Zr  Zr3  1  0.706  0.168  0.536  1.0
  Zr  Zr4  1  0.692  0.470  0.281  1.0
  Zr  Zr5  1  0.683  0.967  0.781  1.0
  Zr  Zr6  1  0.999  0.498  0.002  1.0
  Zr  Zr7  1  0.952  0.204  0.255  1.0
  Zr  Zr8  1  0.033  0.775  0.758  1.0
  Zr  Zr9  1  0.514  0.020  0.988  1.0
  Zr  Zr10  1  0.507  0.502  0.502  1.0
  Zr  Zr11  1  0.321  0.045  0.212  1.0
  Zr  Zr12  1  0.316  0.533  0.713  1.0
  Zr  Zr13  1  0.221  0.183  0.036  1.0
  Zr  Zr14  1  0.280  0.819  0.467  1.0
  Zr  Zr15  1  0.539  0.290  0.749  1.0
  N  N16  1  0.976  0.205  0.535  1.0
  N  N17  1  0.257  0.484  0.984  1.0
  N  N18  1  0.558  0.287  0.486  1.0
  N  N19  1  0.799  0.074  0.970  1.0
  N  N20  1  0.218  0.683  0.774  1.0
  N  N21  1  0.585  0.322  0.951  1.0
  N  N22  1  0.826  0.064  0.451  1.0
  N  N23  1  0.297  0.247  0.738  1.0
  N  N24  1  0.776  0.311  0.230  1.0
  N  N25  1  0.192  0.924  0.034  1.0
  N  N26  1  0.747  0.519  0.013  1.0
  N  N27  1  0.439  0.711  0.513  1.0
  N  N28  1  0.814  0.299  0.730  1.0
  N  N29  1  0.510  0.497  0.230  1.0
  N  N30  1  0.997  0.961  0.273  1.0
  N  N31  1  0.025  0.797  0.466  1.0
  O  O32  1  0.994  0.031  0.731  1.0
  O  O33  1  0.491  0.502  0.771  1.0
  O  O34  1  0.185  0.696  0.273  1.0
  O  O35  1  0.423  0.682  0.045  1.0
  O  O36  1  0.699  0.753  0.262  1.0
  O  O37  1  0.174  0.934  0.550  1.0
  O  O38  1  0.459  0.006  0.766  1.0
  O  O39  1  0.537  0.989  0.237  1.0
[/CIF]
.
The compound described by Zr2ON2 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to one N(12), one N(14), one N(2), one O(3), one O(4), one O(5), and one O(8) atom. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to one N(1), one N(15), one N(16), one N(7), one N(8), one O(1), one O(5), and one O(6) atom. In the third Zr site, Zr(3) is bonded in a 4-coordinate geometry to one N(11), one N(15), one N(4), and one O(2) atom. In the fourth Zr site, Zr(4) is bonded in a 4-coordinate geometry to one N(1), one N(13), one N(3), one N(7), and one O(8) atom. In the fifth Zr site, Zr(5) is bonded in a distorted bent 150 degrees geometry to one N(11), one N(14), and one N(9) atom. In the sixth Zr site, Zr(6) is bonded in a 1-coordinate geometry to one N(12), one N(4), one O(1), and one O(7) atom. In the seventh Zr site, Zr(7) is bonded in a square co-planar geometry to one N(11), one N(13), one N(2), and one O(3) atom. In the eighth Zr site, Zr(8) is bonded in a 4-coordinate geometry to one N(1), one N(15), one N(4), and one N(9) atom. In the ninth Zr site, Zr(9) is bonded in a 4-coordinate geometry to one N(10), one N(16), one N(5), and one O(1) atom. In the tenth Zr site, Zr(10) is bonded in a 1-coordinate geometry to one N(5), one N(9), one O(7), and one O(8) atom. In the eleventh Zr site, Zr(11) is bonded in a square co-planar geometry to one N(12), one N(14), one N(3), and one O(2) atom. In the twelfth Zr site, Zr(12) is bonded in a 1-coordinate geometry to one N(10), one N(15), one N(3), and one O(8) atom. In the thirteenth Zr site, Zr(13) is bonded in a distorted bent 150 degrees geometry to one N(1), one N(12), one N(2), one N(5), one O(2), and one O(4) atom. In the fourteenth Zr site, Zr(14) is bonded in a 4-coordinate geometry to one N(10), one N(14), one N(2), and one O(1) atom. In the fifteenth Zr site, Zr(15) is bonded in a 4-coordinate geometry to one N(12), one O(3), one O(6), and one O(7) atom. In the sixteenth Zr site, Zr(16) is bonded in a 7-coordinate geometry to one N(11), one N(13), one N(3), one N(6), one N(8), one O(2), and one O(7) atom. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Zr(13), one Zr(2), one Zr(4), one Zr(8), and one N(7) atom. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Zr(1), one Zr(13), one Zr(14), one Zr(7), and one O(4) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Zr(11), one Zr(12), one Zr(16), and one Zr(4) atom. In the fourth N site, N(4) is bonded in a 1-coordinate geometry to one Zr(3), one Zr(6), and one Zr(8) atom. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Zr(10), one Zr(13), and one Zr(9) atom. In the sixth N site, N(6) is bonded in a single-bond geometry to one Zr(16) and one N(11) atom. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Zr(2), one Zr(4), and one N(1) atom. In the eighth N site, N(8) is bonded in a 2-coordinate geometry to one Zr(16) and one Zr(2) atom. In the ninth N site, N(9) is bonded in a distorted T-shaped geometry to one Zr(10), one Zr(5), and one Zr(8) atom. In the tenth N site, N(10) is bonded in a 1-coordinate geometry to one Zr(12), one Zr(14), and one Zr(9) atom. In the eleventh N site, N(11) is bonded in a 5-coordinate geometry to one Zr(16), one Zr(3), one Zr(5), one Zr(7), and one N(6) atom. In the twelfth N site, N(12) is bonded in a 5-coordinate geometry to one Zr(1), one Zr(11), one Zr(13), one Zr(15), and one Zr(6) atom. In the thirteenth N site, N(13) is bonded in a 1-coordinate geometry to one Zr(16), one Zr(4), and one Zr(7) atom. In the fourteenth N site, N(14) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(11), one Zr(14), and one Zr(5) atom. In the fifteenth N site, N(15) is bonded in a 4-coordinate geometry to one Zr(12), one Zr(2), one Zr(3), and one Zr(8) atom. In the sixteenth N site, N(16) is bonded in a 1-coordinate geometry to one Zr(2), one Zr(9), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Zr(14), one Zr(2), one Zr(6), and one Zr(9) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Zr(11), one Zr(13), one Zr(16), and one Zr(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(15), and one Zr(7) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(13), and one N(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Zr(1) and one Zr(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Zr(15), one Zr(2), and one N(16) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Zr(10), one Zr(15), one Zr(16), and one Zr(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Zr(1), one Zr(10), one Zr(12), and one Zr(4) atom. is represented by the CIF card [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.867
_cell_length_b   8.876
_cell_length_c   8.878
_cell_angle_alpha   109.657
_cell_angle_beta   109.360
_cell_angle_gamma   109.337
_symmetry_Int_Tables_number   1
_cell_volume   538.280
_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
  Zr  Zr0  1  0.465  0.709  0.249  1.0
  Zr  Zr1  1  0.010  0.017  0.490  1.0
  Zr  Zr2  1  0.788  0.822  0.968  1.0
  Zr  Zr3  1  0.706  0.168  0.536  1.0
  Zr  Zr4  1  0.692  0.470  0.281  1.0
  Zr  Zr5  1  0.683  0.967  0.781  1.0
  Zr  Zr6  1  0.999  0.498  0.002  1.0
  Zr  Zr7  1  0.952  0.204  0.255  1.0
  Zr  Zr8  1  0.033  0.775  0.758  1.0
  Zr  Zr9  1  0.514  0.020  0.988  1.0
  Zr  Zr10  1  0.507  0.502  0.502  1.0
  Zr  Zr11  1  0.321  0.045  0.212  1.0
  Zr  Zr12  1  0.316  0.533  0.713  1.0
  Zr  Zr13  1  0.221  0.183  0.036  1.0
  Zr  Zr14  1  0.280  0.819  0.467  1.0
  Zr  Zr15  1  0.539  0.290  0.749  1.0
  N  N16  1  0.976  0.205  0.535  1.0
  N  N17  1  0.257  0.484  0.984  1.0
  N  N18  1  0.558  0.287  0.486  1.0
  N  N19  1  0.799  0.074  0.970  1.0
  N  N20  1  0.218  0.683  0.774  1.0
  N  N21  1  0.585  0.322  0.951  1.0
  N  N22  1  0.826  0.064  0.451  1.0
  N  N23  1  0.297  0.247  0.738  1.0
  N  N24  1  0.776  0.311  0.230  1.0
  N  N25  1  0.192  0.924  0.034  1.0
  N  N26  1  0.747  0.519  0.013  1.0
  N  N27  1  0.439  0.711  0.513  1.0
  N  N28  1  0.814  0.299  0.730  1.0
  N  N29  1  0.510  0.497  0.230  1.0
  N  N30  1  0.997  0.961  0.273  1.0
  N  N31  1  0.025  0.797  0.466  1.0
  O  O32  1  0.994  0.031  0.731  1.0
  O  O33  1  0.491  0.502  0.771  1.0
  O  O34  1  0.185  0.696  0.273  1.0
  O  O35  1  0.423  0.682  0.045  1.0
  O  O36  1  0.699  0.753  0.262  1.0
  O  O37  1  0.174  0.934  0.550  1.0
  O  O38  1  0.459  0.006  0.766  1.0
  O  O39  1  0.537  0.989  0.237  1.0
[/CIF]
.