The crystal structure 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 square co-planar geometry to one N(6), one O(5), one O(7), and one O(8) atom. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to one N(16), one O(2), one O(4), one O(6), and one O(7) atom. In the third Zr site, Zr(3) is bonded in a distorted bent 150 degrees geometry to one N(14), one N(5), one N(8), one O(2), and one O(8) atom. In the fourth Zr site, Zr(4) is bonded in a 1-coordinate geometry to one N(1), one N(11), one N(3), and one N(8) atom. In the fifth Zr site, Zr(5) is bonded in a 7-coordinate geometry to one N(1), one N(10), one N(5), one O(1), one O(5), one O(6), and one O(7) atom. In the sixth Zr site, Zr(6) is bonded in a 4-coordinate geometry to one N(13), one N(14), one N(3), and one O(3) atom. In the seventh Zr site, Zr(7) is bonded in a 4-coordinate geometry to one N(3), one N(7), one O(3), and one O(8) atom. In the eighth Zr site, Zr(8) is bonded in a distorted rectangular see-saw-like geometry to one N(5), one N(7), one N(8), and one O(6) atom. In the ninth Zr site, Zr(9) is bonded in a 1-coordinate geometry to one N(1), one N(14), one N(16), and one N(2) atom. In the tenth Zr site, Zr(10) is bonded in a distorted hexagonal bipyramidal geometry to one N(12), one N(13), one N(15), one N(3), one N(9), one O(1), one O(2), and one O(4) atom. In the eleventh Zr site, Zr(11) is bonded in a 4-coordinate geometry to one N(11), one N(12), one N(5), and one O(5) atom. In the twelfth Zr site, Zr(12) is bonded in a 1-coordinate geometry to one N(15), one N(16), one N(4), one N(8), and one O(8) atom. In the thirteenth Zr site, Zr(13) is bonded in a 4-coordinate geometry to one N(11), one N(12), one N(2), and one O(2) atom. In the fourteenth Zr site, Zr(14) is bonded in a distorted bent 150 degrees geometry to one N(2), one N(7), and one O(6) atom. In the fifteenth Zr site, Zr(15) is bonded in a distorted single-bond geometry to one N(12), one N(16), one O(3), and one O(6) atom. In the sixteenth Zr site, Zr(16) is bonded in a 4-coordinate geometry to one N(1), one N(6), one N(8), and one N(9) atom. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Zr(16), one Zr(4), one Zr(5), and one Zr(9) atom. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Zr(13), one Zr(14), and one Zr(9) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Zr(10), one Zr(4), one Zr(6), and one Zr(7) atom. In the fourth N site, N(4) is bonded in a 1-coordinate geometry to one Zr(12) and one O(8) atom. In the fifth N site, N(5) is bonded in a 4-coordinate geometry to one Zr(11), one Zr(3), one Zr(5), and one Zr(8) atom. In the sixth N site, N(6) is bonded in a 2-coordinate geometry to one Zr(1) and one Zr(16) atom. In the seventh N site, N(7) is bonded in a 1-coordinate geometry to one Zr(14), one Zr(7), and one Zr(8) atom. In the eighth N site, N(8) is bonded in a 5-coordinate geometry to one Zr(12), one Zr(16), one Zr(3), one Zr(4), and one Zr(8) atom. In the ninth N site, N(9) is bonded in a distorted bent 150 degrees geometry to one Zr(10) and one Zr(16) atom. In the tenth N site, N(10) is bonded in a 2-coordinate geometry to one Zr(5) and one O(5) atom. In the eleventh N site, N(11) is bonded in a distorted single-bond geometry to one Zr(11), one Zr(13), and one Zr(4) atom. In the twelfth N site, N(12) is bonded in a 4-coordinate geometry to one Zr(10), one Zr(11), one Zr(13), and one Zr(15) atom. In the thirteenth N site, N(13) is bonded in a 1-coordinate geometry to one Zr(10) and one Zr(6) atom. In the fourteenth N site, N(14) is bonded in a distorted T-shaped geometry to one Zr(3), one Zr(6), and one Zr(9) atom. In the fifteenth N site, N(15) is bonded in a 1-coordinate geometry to one Zr(10) and one Zr(12) atom. In the sixteenth N site, N(16) is bonded in a distorted trigonal pyramidal geometry to one Zr(12), one Zr(15), one Zr(2), and one Zr(9) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Zr(10) and one Zr(5) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Zr(10), one Zr(13), one Zr(2), one Zr(3), and one O(4) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Zr(15), one Zr(6), and one Zr(7) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Zr(10), one Zr(2), and one O(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(11), one Zr(5), and one N(10) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Zr(14), one Zr(15), one Zr(2), one Zr(5), and one Zr(8) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(2), and one Zr(5) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Zr(1), one Zr(12), one Zr(3), one Zr(7), and one N(4) atom. is represented by the CIF file [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.865
_cell_length_b   8.880
_cell_length_c   8.880
_cell_angle_alpha   109.493
_cell_angle_beta   109.354
_cell_angle_gamma   109.520
_symmetry_Int_Tables_number   1
_cell_volume   538.461
_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  0.505  0.502  0.499  1.0
  Zr  Zr1  1  0.797  0.827  0.956  1.0
  Zr  Zr2  1  0.188  0.466  0.780  1.0
  Zr  Zr3  1  0.823  0.039  0.708  1.0
  Zr  Zr4  1  0.955  0.703  0.757  1.0
  Zr  Zr5  1  0.470  0.218  0.750  1.0
  Zr  Zr6  1  0.285  0.824  0.464  1.0
  Zr  Zr7  1  0.991  0.479  0.010  1.0
  Zr  Zr8  1  0.003  0.007  0.491  1.0
  Zr  Zr9  1  0.497  0.013  0.998  1.0
  Zr  Zr10  1  0.726  0.181  0.532  1.0
  Zr  Zr11  1  0.027  0.279  0.255  1.0
  Zr  Zr12  1  0.539  0.790  0.246  1.0
  Zr  Zr13  1  0.833  0.544  0.213  1.0
  Zr  Zr14  1  0.187  0.976  0.282  1.0
  Zr  Zr15  1  0.192  0.161  0.046  1.0
  N  N16  1  0.029  0.985  0.740  1.0
  N  N17  1  0.706  0.672  0.278  1.0
  N  N18  1  0.499  0.966  0.774  1.0
  N  N19  1  0.080  0.317  0.456  1.0
  N  N20  1  0.015  0.500  0.726  1.0
  N  N21  1  0.324  0.313  0.226  1.0
  N  N22  1  0.992  0.505  0.272  1.0
  N  N23  1  0.065  0.292  0.983  1.0
  N  N24  1  0.312  0.049  0.958  1.0
  N  N25  1  0.920  0.683  0.545  1.0
  N  N26  1  0.693  0.922  0.534  1.0
  N  N27  1  0.500  0.030  0.228  1.0
  N  N28  1  0.484  0.213  0.030  1.0
  N  N29  1  0.281  0.312  0.730  1.0
  N  N30  1  0.793  0.253  0.239  1.0
  N  N31  1  0.958  0.004  0.266  1.0
  O  O32  1  0.204  0.754  0.760  1.0
  O  O33  1  0.528  0.800  0.965  1.0
  O  O34  1  0.300  0.073  0.470  1.0
  O  O35  1  0.677  0.937  0.048  1.0
  O  O36  1  0.746  0.475  0.489  1.0
  O  O37  1  0.939  0.713  0.012  1.0
  O  O38  1  0.688  0.698  0.770  1.0
  O  O39  1  0.248  0.521  0.513  1.0
[/CIF]
.
The crystal structure 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 square co-planar geometry to one N(6), one O(5), one O(7), and one O(8) atom. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to one N(16), one O(2), one O(4), one O(6), and one O(7) atom. In the third Zr site, Zr(3) is bonded in a distorted bent 150 degrees geometry to one N(14), one N(5), one N(8), one O(2), and one O(8) atom. In the fourth Zr site, Zr(4) is bonded in a 1-coordinate geometry to one N(1), one N(11), one N(3), and one N(8) atom. In the fifth Zr site, Zr(5) is bonded in a 7-coordinate geometry to one N(1), one N(10), one N(5), one O(1), one O(5), one O(6), and one O(7) atom. In the sixth Zr site, Zr(6) is bonded in a 4-coordinate geometry to one N(13), one N(14), one N(3), and one O(3) atom. In the seventh Zr site, Zr(7) is bonded in a 4-coordinate geometry to one N(3), one N(7), one O(3), and one O(8) atom. In the eighth Zr site, Zr(8) is bonded in a distorted rectangular see-saw-like geometry to one N(5), one N(7), one N(8), and one O(6) atom. In the ninth Zr site, Zr(9) is bonded in a 1-coordinate geometry to one N(1), one N(14), one N(16), and one N(2) atom. In the tenth Zr site, Zr(10) is bonded in a distorted hexagonal bipyramidal geometry to one N(12), one N(13), one N(15), one N(3), one N(9), one O(1), one O(2), and one O(4) atom. In the eleventh Zr site, Zr(11) is bonded in a 4-coordinate geometry to one N(11), one N(12), one N(5), and one O(5) atom. In the twelfth Zr site, Zr(12) is bonded in a 1-coordinate geometry to one N(15), one N(16), one N(4), one N(8), and one O(8) atom. In the thirteenth Zr site, Zr(13) is bonded in a 4-coordinate geometry to one N(11), one N(12), one N(2), and one O(2) atom. In the fourteenth Zr site, Zr(14) is bonded in a distorted bent 150 degrees geometry to one N(2), one N(7), and one O(6) atom. In the fifteenth Zr site, Zr(15) is bonded in a distorted single-bond geometry to one N(12), one N(16), one O(3), and one O(6) atom. In the sixteenth Zr site, Zr(16) is bonded in a 4-coordinate geometry to one N(1), one N(6), one N(8), and one N(9) atom. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Zr(16), one Zr(4), one Zr(5), and one Zr(9) atom. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Zr(13), one Zr(14), and one Zr(9) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Zr(10), one Zr(4), one Zr(6), and one Zr(7) atom. In the fourth N site, N(4) is bonded in a 1-coordinate geometry to one Zr(12) and one O(8) atom. In the fifth N site, N(5) is bonded in a 4-coordinate geometry to one Zr(11), one Zr(3), one Zr(5), and one Zr(8) atom. In the sixth N site, N(6) is bonded in a 2-coordinate geometry to one Zr(1) and one Zr(16) atom. In the seventh N site, N(7) is bonded in a 1-coordinate geometry to one Zr(14), one Zr(7), and one Zr(8) atom. In the eighth N site, N(8) is bonded in a 5-coordinate geometry to one Zr(12), one Zr(16), one Zr(3), one Zr(4), and one Zr(8) atom. In the ninth N site, N(9) is bonded in a distorted bent 150 degrees geometry to one Zr(10) and one Zr(16) atom. In the tenth N site, N(10) is bonded in a 2-coordinate geometry to one Zr(5) and one O(5) atom. In the eleventh N site, N(11) is bonded in a distorted single-bond geometry to one Zr(11), one Zr(13), and one Zr(4) atom. In the twelfth N site, N(12) is bonded in a 4-coordinate geometry to one Zr(10), one Zr(11), one Zr(13), and one Zr(15) atom. In the thirteenth N site, N(13) is bonded in a 1-coordinate geometry to one Zr(10) and one Zr(6) atom. In the fourteenth N site, N(14) is bonded in a distorted T-shaped geometry to one Zr(3), one Zr(6), and one Zr(9) atom. In the fifteenth N site, N(15) is bonded in a 1-coordinate geometry to one Zr(10) and one Zr(12) atom. In the sixteenth N site, N(16) is bonded in a distorted trigonal pyramidal geometry to one Zr(12), one Zr(15), one Zr(2), and one Zr(9) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Zr(10) and one Zr(5) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Zr(10), one Zr(13), one Zr(2), one Zr(3), and one O(4) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Zr(15), one Zr(6), and one Zr(7) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Zr(10), one Zr(2), and one O(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(11), one Zr(5), and one N(10) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Zr(14), one Zr(15), one Zr(2), one Zr(5), and one Zr(8) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(2), and one Zr(5) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Zr(1), one Zr(12), one Zr(3), one Zr(7), and one N(4) atom. is represented by the CIF file [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.865
_cell_length_b   8.880
_cell_length_c   8.880
_cell_angle_alpha   109.493
_cell_angle_beta   109.354
_cell_angle_gamma   109.520
_symmetry_Int_Tables_number   1
_cell_volume   538.461
_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  0.505  0.502  0.499  1.0
  Zr  Zr1  1  0.797  0.827  0.956  1.0
  Zr  Zr2  1  0.188  0.466  0.780  1.0
  Zr  Zr3  1  0.823  0.039  0.708  1.0
  Zr  Zr4  1  0.955  0.703  0.757  1.0
  Zr  Zr5  1  0.470  0.218  0.750  1.0
  Zr  Zr6  1  0.285  0.824  0.464  1.0
  Zr  Zr7  1  0.991  0.479  0.010  1.0
  Zr  Zr8  1  0.003  0.007  0.491  1.0
  Zr  Zr9  1  0.497  0.013  0.998  1.0
  Zr  Zr10  1  0.726  0.181  0.532  1.0
  Zr  Zr11  1  0.027  0.279  0.255  1.0
  Zr  Zr12  1  0.539  0.790  0.246  1.0
  Zr  Zr13  1  0.833  0.544  0.213  1.0
  Zr  Zr14  1  0.187  0.976  0.282  1.0
  Zr  Zr15  1  0.192  0.161  0.046  1.0
  N  N16  1  0.029  0.985  0.740  1.0
  N  N17  1  0.706  0.672  0.278  1.0
  N  N18  1  0.499  0.966  0.774  1.0
  N  N19  1  0.080  0.317  0.456  1.0
  N  N20  1  0.015  0.500  0.726  1.0
  N  N21  1  0.324  0.313  0.226  1.0
  N  N22  1  0.992  0.505  0.272  1.0
  N  N23  1  0.065  0.292  0.983  1.0
  N  N24  1  0.312  0.049  0.958  1.0
  N  N25  1  0.920  0.683  0.545  1.0
  N  N26  1  0.693  0.922  0.534  1.0
  N  N27  1  0.500  0.030  0.228  1.0
  N  N28  1  0.484  0.213  0.030  1.0
  N  N29  1  0.281  0.312  0.730  1.0
  N  N30  1  0.793  0.253  0.239  1.0
  N  N31  1  0.958  0.004  0.266  1.0
  O  O32  1  0.204  0.754  0.760  1.0
  O  O33  1  0.528  0.800  0.965  1.0
  O  O34  1  0.300  0.073  0.470  1.0
  O  O35  1  0.677  0.937  0.048  1.0
  O  O36  1  0.746  0.475  0.489  1.0
  O  O37  1  0.939  0.713  0.012  1.0
  O  O38  1  0.688  0.698  0.770  1.0
  O  O39  1  0.248  0.521  0.513  1.0
[/CIF]
.