The material 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 4-coordinate geometry to one N(13), one N(14), one N(7), and one N(8) atom. In the second Zr site, Zr(2) is bonded in a distorted hexagonal bipyramidal geometry to one N(10), one N(12), one N(14), one N(2), one N(9), one O(2), 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(1), one N(10), one N(15), and one N(2) atom. In the fourth Zr site, Zr(4) is bonded in a 2-coordinate geometry to one N(1), one N(13), one N(16), and one O(3) atom. In the fifth Zr site, Zr(5) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(5), one N(7), and one O(8) atom. In the sixth Zr site, Zr(6) is bonded in a 7-coordinate geometry to one N(11), one N(12), one N(13), one N(4), one N(5), one N(6), and one O(8) atom. In the seventh Zr site, Zr(7) is bonded in a 1-coordinate geometry to one N(13), one N(15), one N(7), and one N(9) atom. In the eighth Zr site, Zr(8) is bonded in a distorted bent 150 degrees geometry to one N(1), one N(3), and one O(8) atom. In the ninth Zr site, Zr(9) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(9), one O(1), and one O(7) atom. In the tenth Zr site, Zr(10) is bonded in a 3-coordinate geometry to one N(15), one N(2), one N(5), and one N(6) atom. In the eleventh Zr site, Zr(11) is bonded in a distorted single-bond geometry to one N(2), one O(1), one O(3), and one O(8) atom. In the twelfth Zr site, Zr(12) is bonded in a 2-coordinate geometry to one N(12), one N(16), one N(5), and one O(7) atom. In the thirteenth Zr site, Zr(13) is bonded in a distorted rectangular see-saw-like geometry to one N(4), one N(6), one N(8), and one O(7) atom. In the fourteenth Zr site, Zr(14) is bonded in a 4-coordinate geometry to one N(16), one N(9), one O(1), and one O(6) atom. In the fifteenth Zr site, Zr(15) is bonded in a 1-coordinate geometry to one N(3), one N(7), one N(8), one O(3), one O(4), one O(5), and one O(7) atom. In the sixteenth Zr site, Zr(16) is bonded in a 4-coordinate geometry to one N(4), one O(2), one O(3), and one O(8) atom. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a distorted T-shaped geometry to one Zr(3), one Zr(4), and one Zr(8) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Zr(10), one Zr(11), one Zr(2), and one Zr(3) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Zr(15), one Zr(5), one Zr(8), and one Zr(9) atom. In the fourth N site, N(4) is bonded in a 1-coordinate geometry to one Zr(13), one Zr(16), and one Zr(6) atom. In the fifth N site, N(5) is bonded in a 4-coordinate geometry to one Zr(10), one Zr(12), one Zr(5), and one Zr(6) atom. In the sixth N site, N(6) is bonded in a 4-coordinate geometry to one Zr(10), one Zr(13), one Zr(6), and one N(11) atom. In the seventh N site, N(7) is bonded to one Zr(1), one Zr(15), one Zr(5), and one Zr(7) atom to form distorted NZr4 tetrahedra that share  a cornercorner with one O(3)Zr4 trigonal pyramid and  an edgeedge with one N(13)Zr4 trigonal pyramid. In the eighth N site, N(8) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(13), and one Zr(15) atom. In the ninth N site, N(9) is bonded in a 4-coordinate geometry to one Zr(14), one Zr(2), one Zr(7), and one Zr(9) atom. In the tenth N site, N(10) is bonded in a 2-coordinate geometry to one Zr(2), one Zr(3), and one O(2) atom. In the eleventh N site, N(11) is bonded in a single-bond geometry to one Zr(6) and one N(6) atom. In the twelfth N site, N(12) is bonded in a 3-coordinate geometry to one Zr(12), one Zr(2), and one Zr(6) atom. In the thirteenth N site, N(13) is bonded to one Zr(1), one Zr(4), one Zr(6), and one Zr(7) atom to form distorted NZr4 trigonal pyramids that share  a cornercorner with one O(3)Zr4 trigonal pyramid and  an edgeedge with one N(7)Zr4 tetrahedra. In the fourteenth N site, N(14) is bonded in a distorted T-shaped geometry to one Zr(1), one Zr(2), and one O(6) atom. In the fifteenth N site, N(15) is bonded in a distorted single-bond geometry to one Zr(10), one Zr(3), and one Zr(7) atom. In the sixteenth N site, N(16) is bonded in a 3-coordinate geometry to one Zr(12), one Zr(14), and one Zr(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Zr(11), one Zr(14), and one Zr(9) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Zr(16), one Zr(2), and one N(10) atom. In the third O site, O(3) is bonded to one Zr(11), one Zr(15), one Zr(16), and one Zr(4) atom to form distorted OZr4 trigonal pyramids that share  a cornercorner with one N(7)Zr4 tetrahedra and  a cornercorner with one N(13)Zr4 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Zr(15) and one O(7) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Zr(15) and one Zr(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Zr(14), one Zr(2), and one N(14) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Zr(12), one Zr(13), one Zr(15), one Zr(9), and one O(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Zr(11), one Zr(16), one Zr(5), one Zr(6), and one Zr(8) atom. is represented by the CIF file [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.879
_cell_length_b   8.876
_cell_length_c   8.881
_cell_angle_alpha   109.601
_cell_angle_beta   109.444
_cell_angle_gamma   109.356
_symmetry_Int_Tables_number   1
_cell_volume   538.857
_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  0.711  0.179  0.033  1.0
  Zr  Zr1  1  0.996  0.997  0.997  1.0
  Zr  Zr2  1  0.047  0.797  0.244  1.0
  Zr  Zr3  1  0.486  0.989  0.502  1.0
  Zr  Zr4  1  0.512  0.507  0.990  1.0
  Zr  Zr5  1  0.461  0.711  0.750  1.0
  Zr  Zr6  1  0.310  0.020  0.721  1.0
  Zr  Zr7  1  0.336  0.554  0.211  1.0
  Zr  Zr8  1  0.777  0.815  0.468  1.0
  Zr  Zr9  1  0.202  0.172  0.541  1.0
  Zr  Zr10  1  0.682  0.962  0.290  1.0
  Zr  Zr11  1  0.689  0.475  0.779  1.0
  Zr  Zr12  1  0.994  0.481  0.509  1.0
  Zr  Zr13  1  0.971  0.221  0.746  1.0
  Zr  Zr14  1  0.541  0.291  0.250  1.0
  Zr  Zr15  1  0.288  0.824  0.959  1.0
  N  N16  1  0.210  0.676  0.276  1.0
  N  N17  1  0.999  0.031  0.229  1.0
  N  N18  1  0.490  0.502  0.271  1.0
  N  N19  1  0.186  0.696  0.771  1.0
  N  N20  1  0.510  0.499  0.727  1.0
  N  N21  1  0.256  0.486  0.484  1.0
  N  N22  1  0.555  0.283  0.989  1.0
  N  N23  1  0.819  0.307  0.228  1.0
  N  N24  1  0.998  0.963  0.774  1.0
  N  N25  1  0.029  0.801  0.964  1.0
  N  N26  1  0.421  0.682  0.547  1.0
  N  N27  1  0.700  0.750  0.764  1.0
  N  N28  1  0.539  0.993  0.736  1.0
  N  N29  1  0.819  0.058  0.955  1.0
  N  N30  1  0.196  0.923  0.534  1.0
  N  N31  1  0.777  0.310  0.731  1.0
  O  O32  1  0.811  0.080  0.464  1.0
  O  O33  1  0.171  0.936  0.052  1.0
  O  O34  1  0.468  0.018  0.258  1.0
  O  O35  1  0.588  0.324  0.452  1.0
  O  O36  1  0.289  0.245  0.242  1.0
  O  O37  1  0.977  0.206  0.034  1.0
  O  O38  1  0.752  0.526  0.508  1.0
  O  O39  1  0.439  0.710  0.016  1.0
[/CIF]
.
The material 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 4-coordinate geometry to one N(13), one N(14), one N(7), and one N(8) atom. In the second Zr site, Zr(2) is bonded in a distorted hexagonal bipyramidal geometry to one N(10), one N(12), one N(14), one N(2), one N(9), one O(2), 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(1), one N(10), one N(15), and one N(2) atom. In the fourth Zr site, Zr(4) is bonded in a 2-coordinate geometry to one N(1), one N(13), one N(16), and one O(3) atom. In the fifth Zr site, Zr(5) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(5), one N(7), and one O(8) atom. In the sixth Zr site, Zr(6) is bonded in a 7-coordinate geometry to one N(11), one N(12), one N(13), one N(4), one N(5), one N(6), and one O(8) atom. In the seventh Zr site, Zr(7) is bonded in a 1-coordinate geometry to one N(13), one N(15), one N(7), and one N(9) atom. In the eighth Zr site, Zr(8) is bonded in a distorted bent 150 degrees geometry to one N(1), one N(3), and one O(8) atom. In the ninth Zr site, Zr(9) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(9), one O(1), and one O(7) atom. In the tenth Zr site, Zr(10) is bonded in a 3-coordinate geometry to one N(15), one N(2), one N(5), and one N(6) atom. In the eleventh Zr site, Zr(11) is bonded in a distorted single-bond geometry to one N(2), one O(1), one O(3), and one O(8) atom. In the twelfth Zr site, Zr(12) is bonded in a 2-coordinate geometry to one N(12), one N(16), one N(5), and one O(7) atom. In the thirteenth Zr site, Zr(13) is bonded in a distorted rectangular see-saw-like geometry to one N(4), one N(6), one N(8), and one O(7) atom. In the fourteenth Zr site, Zr(14) is bonded in a 4-coordinate geometry to one N(16), one N(9), one O(1), and one O(6) atom. In the fifteenth Zr site, Zr(15) is bonded in a 1-coordinate geometry to one N(3), one N(7), one N(8), one O(3), one O(4), one O(5), and one O(7) atom. In the sixteenth Zr site, Zr(16) is bonded in a 4-coordinate geometry to one N(4), one O(2), one O(3), and one O(8) atom. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a distorted T-shaped geometry to one Zr(3), one Zr(4), and one Zr(8) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Zr(10), one Zr(11), one Zr(2), and one Zr(3) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Zr(15), one Zr(5), one Zr(8), and one Zr(9) atom. In the fourth N site, N(4) is bonded in a 1-coordinate geometry to one Zr(13), one Zr(16), and one Zr(6) atom. In the fifth N site, N(5) is bonded in a 4-coordinate geometry to one Zr(10), one Zr(12), one Zr(5), and one Zr(6) atom. In the sixth N site, N(6) is bonded in a 4-coordinate geometry to one Zr(10), one Zr(13), one Zr(6), and one N(11) atom. In the seventh N site, N(7) is bonded to one Zr(1), one Zr(15), one Zr(5), and one Zr(7) atom to form distorted NZr4 tetrahedra that share  a cornercorner with one O(3)Zr4 trigonal pyramid and  an edgeedge with one N(13)Zr4 trigonal pyramid. In the eighth N site, N(8) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(13), and one Zr(15) atom. In the ninth N site, N(9) is bonded in a 4-coordinate geometry to one Zr(14), one Zr(2), one Zr(7), and one Zr(9) atom. In the tenth N site, N(10) is bonded in a 2-coordinate geometry to one Zr(2), one Zr(3), and one O(2) atom. In the eleventh N site, N(11) is bonded in a single-bond geometry to one Zr(6) and one N(6) atom. In the twelfth N site, N(12) is bonded in a 3-coordinate geometry to one Zr(12), one Zr(2), and one Zr(6) atom. In the thirteenth N site, N(13) is bonded to one Zr(1), one Zr(4), one Zr(6), and one Zr(7) atom to form distorted NZr4 trigonal pyramids that share  a cornercorner with one O(3)Zr4 trigonal pyramid and  an edgeedge with one N(7)Zr4 tetrahedra. In the fourteenth N site, N(14) is bonded in a distorted T-shaped geometry to one Zr(1), one Zr(2), and one O(6) atom. In the fifteenth N site, N(15) is bonded in a distorted single-bond geometry to one Zr(10), one Zr(3), and one Zr(7) atom. In the sixteenth N site, N(16) is bonded in a 3-coordinate geometry to one Zr(12), one Zr(14), and one Zr(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Zr(11), one Zr(14), and one Zr(9) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Zr(16), one Zr(2), and one N(10) atom. In the third O site, O(3) is bonded to one Zr(11), one Zr(15), one Zr(16), and one Zr(4) atom to form distorted OZr4 trigonal pyramids that share  a cornercorner with one N(7)Zr4 tetrahedra and  a cornercorner with one N(13)Zr4 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Zr(15) and one O(7) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Zr(15) and one Zr(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Zr(14), one Zr(2), and one N(14) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Zr(12), one Zr(13), one Zr(15), one Zr(9), and one O(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Zr(11), one Zr(16), one Zr(5), one Zr(6), and one Zr(8) atom. is represented by the CIF file [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.879
_cell_length_b   8.876
_cell_length_c   8.881
_cell_angle_alpha   109.601
_cell_angle_beta   109.444
_cell_angle_gamma   109.356
_symmetry_Int_Tables_number   1
_cell_volume   538.857
_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  0.711  0.179  0.033  1.0
  Zr  Zr1  1  0.996  0.997  0.997  1.0
  Zr  Zr2  1  0.047  0.797  0.244  1.0
  Zr  Zr3  1  0.486  0.989  0.502  1.0
  Zr  Zr4  1  0.512  0.507  0.990  1.0
  Zr  Zr5  1  0.461  0.711  0.750  1.0
  Zr  Zr6  1  0.310  0.020  0.721  1.0
  Zr  Zr7  1  0.336  0.554  0.211  1.0
  Zr  Zr8  1  0.777  0.815  0.468  1.0
  Zr  Zr9  1  0.202  0.172  0.541  1.0
  Zr  Zr10  1  0.682  0.962  0.290  1.0
  Zr  Zr11  1  0.689  0.475  0.779  1.0
  Zr  Zr12  1  0.994  0.481  0.509  1.0
  Zr  Zr13  1  0.971  0.221  0.746  1.0
  Zr  Zr14  1  0.541  0.291  0.250  1.0
  Zr  Zr15  1  0.288  0.824  0.959  1.0
  N  N16  1  0.210  0.676  0.276  1.0
  N  N17  1  0.999  0.031  0.229  1.0
  N  N18  1  0.490  0.502  0.271  1.0
  N  N19  1  0.186  0.696  0.771  1.0
  N  N20  1  0.510  0.499  0.727  1.0
  N  N21  1  0.256  0.486  0.484  1.0
  N  N22  1  0.555  0.283  0.989  1.0
  N  N23  1  0.819  0.307  0.228  1.0
  N  N24  1  0.998  0.963  0.774  1.0
  N  N25  1  0.029  0.801  0.964  1.0
  N  N26  1  0.421  0.682  0.547  1.0
  N  N27  1  0.700  0.750  0.764  1.0
  N  N28  1  0.539  0.993  0.736  1.0
  N  N29  1  0.819  0.058  0.955  1.0
  N  N30  1  0.196  0.923  0.534  1.0
  N  N31  1  0.777  0.310  0.731  1.0
  O  O32  1  0.811  0.080  0.464  1.0
  O  O33  1  0.171  0.936  0.052  1.0
  O  O34  1  0.468  0.018  0.258  1.0
  O  O35  1  0.588  0.324  0.452  1.0
  O  O36  1  0.289  0.245  0.242  1.0
  O  O37  1  0.977  0.206  0.034  1.0
  O  O38  1  0.752  0.526  0.508  1.0
  O  O39  1  0.439  0.710  0.016  1.0
[/CIF]
.