The compound described by Zr2ON2 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(1), one N(3), one N(6), one N(8), one O(1), and one O(4) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 44-65°. In the second Zr site, Zr(2) is bonded to one N(2), one N(4), one N(5), one N(7), one O(2), and one O(3) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 42-67°. In the third Zr site, Zr(3) is bonded to one N(1), one N(2), one N(3), one N(4), one O(1), and one O(2) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 46-67°. In the fourth Zr site, Zr(4) is bonded to one N(5), one N(6), one N(7), one N(8), one O(3), and one O(4) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 44-66°. In the fifth Zr site, Zr(5) is bonded to one N(1), one N(2), one N(3), one N(4), one O(1), and one O(2) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 42-65°. In the sixth Zr site, Zr(6) is bonded to one N(5), one N(6), one N(7), one N(8), one O(3), and one O(4) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 47-68°. In the seventh Zr site, Zr(7) is bonded to one N(2), one N(4), one N(5), one N(7), one O(2), and one O(3) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 45-68°. In the eighth Zr site, Zr(8) is bonded to one N(1), one N(3), one N(6), one N(8), one O(1), and one O(4) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 47-66°. There are eight inequivalent N sites. In the first N site, N(1) is bonded to one Zr(1), one Zr(3), one Zr(5), and one Zr(8) atom to form distorted NZr4 trigonal pyramids that share corners with two equivalent N(3)Zr4 trigonal pyramids, corners with two equivalent N(6)Zr4 trigonal pyramids, corners with two equivalent O(1)Zr4 trigonal pyramids, corners with two equivalent O(2)Zr4 trigonal pyramids, corners with two equivalent O(4)Zr4 trigonal pyramids,  an edgeedge with one N(2)Zr4 trigonal pyramid,  an edgeedge with one N(3)Zr4 trigonal pyramid, and  an edgeedge with one O(1)Zr4 trigonal pyramid. In the second N site, N(2) is bonded to one Zr(2), one Zr(3), one Zr(5), and one Zr(7) atom to form distorted NZr4 trigonal pyramids that share corners with two equivalent N(3)Zr4 trigonal pyramids, corners with two equivalent N(5)Zr4 trigonal pyramids, corners with two equivalent O(1)Zr4 trigonal pyramids, corners with two equivalent O(2)Zr4 trigonal pyramids, corners with two equivalent O(3)Zr4 trigonal pyramids,  an edgeedge with one N(1)Zr4 trigonal pyramid,  an edgeedge with one N(7)Zr4 trigonal pyramid, and  an edgeedge with one O(2)Zr4 trigonal pyramid. In the third N site, N(3) is bonded to one Zr(1), one Zr(3), one Zr(5), and one Zr(8) atom to form distorted NZr4 trigonal pyramids that share corners with two equivalent N(1)Zr4 trigonal pyramids, corners with two equivalent N(2)Zr4 trigonal pyramids, corners with two equivalent O(1)Zr4 trigonal pyramids, corners with two equivalent O(2)Zr4 trigonal pyramids, corners with two equivalent O(4)Zr4 trigonal pyramids,  an edgeedge with one N(1)Zr4 trigonal pyramid,  an edgeedge with one N(6)Zr4 trigonal pyramid, and  an edgeedge with one O(1)Zr4 trigonal pyramid. In the fourth N site, N(4) is bonded in a distorted see-saw-like geometry to one Zr(2), one Zr(3), one Zr(5), and one Zr(7) atom. In the fifth N site, N(5) is bonded to one Zr(2), one Zr(4), one Zr(6), and one Zr(7) atom to form distorted NZr4 trigonal pyramids that share corners with two equivalent N(2)Zr4 trigonal pyramids, corners with two equivalent N(6)Zr4 trigonal pyramids, corners with two equivalent N(7)Zr4 trigonal pyramids, corners with two equivalent O(3)Zr4 trigonal pyramids,  an edgeedge with one N(7)Zr4 trigonal pyramid,  an edgeedge with one O(2)Zr4 trigonal pyramid,  an edgeedge with one O(3)Zr4 trigonal pyramid, and  an edgeedge with one O(4)Zr4 trigonal pyramid. In the sixth N site, N(6) is bonded to one Zr(1), one Zr(4), one Zr(6), and one Zr(8) atom to form distorted NZr4 trigonal pyramids that share corners with two equivalent N(1)Zr4 trigonal pyramids, corners with two equivalent N(5)Zr4 trigonal pyramids, corners with two equivalent N(7)Zr4 trigonal pyramids, corners with two equivalent O(1)Zr4 trigonal pyramids, corners with two equivalent O(4)Zr4 trigonal pyramids,  an edgeedge with one N(3)Zr4 trigonal pyramid,  an edgeedge with one O(3)Zr4 trigonal pyramid, and  an edgeedge with one O(4)Zr4 trigonal pyramid. In the seventh N site, N(7) is bonded to one Zr(2), one Zr(4), one Zr(6), and one Zr(7) atom to form distorted NZr4 trigonal pyramids that share corners with two equivalent N(5)Zr4 trigonal pyramids, corners with two equivalent N(6)Zr4 trigonal pyramids, corners with two equivalent O(2)Zr4 trigonal pyramids, corners with two equivalent O(3)Zr4 trigonal pyramids, corners with two equivalent O(4)Zr4 trigonal pyramids,  an edgeedge with one N(2)Zr4 trigonal pyramid,  an edgeedge with one N(5)Zr4 trigonal pyramid, and  an edgeedge with one O(3)Zr4 trigonal pyramid. In the eighth N site, N(8) is bonded in a distorted see-saw-like geometry to one Zr(1), one Zr(4), one Zr(6), and one Zr(8) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Zr(1), one Zr(3), one Zr(5), and one Zr(8) atom to form distorted OZr4 trigonal pyramids that share corners with two equivalent N(1)Zr4 trigonal pyramids, corners with two equivalent N(2)Zr4 trigonal pyramids, corners with two equivalent N(3)Zr4 trigonal pyramids, corners with two equivalent N(6)Zr4 trigonal pyramids,  an edgeedge with one N(1)Zr4 trigonal pyramid,  an edgeedge with one N(3)Zr4 trigonal pyramid,  an edgeedge with one O(2)Zr4 trigonal pyramid, and  an edgeedge with one O(4)Zr4 trigonal pyramid. In the second O site, O(2) is bonded to one Zr(2), one Zr(3), one Zr(5), and one Zr(7) atom to form distorted OZr4 trigonal pyramids that share corners with two equivalent N(1)Zr4 trigonal pyramids, corners with two equivalent N(2)Zr4 trigonal pyramids, corners with two equivalent N(3)Zr4 trigonal pyramids, corners with two equivalent N(7)Zr4 trigonal pyramids, corners with two equivalent O(3)Zr4 trigonal pyramids,  an edgeedge with one N(2)Zr4 trigonal pyramid,  an edgeedge with one N(5)Zr4 trigonal pyramid, and  an edgeedge with one O(1)Zr4 trigonal pyramid. In the third O site, O(3) is bonded to one Zr(2), one Zr(4), one Zr(6), and one Zr(7) atom to form distorted OZr4 trigonal pyramids that share corners with two equivalent N(2)Zr4 trigonal pyramids, corners with two equivalent N(5)Zr4 trigonal pyramids, corners with two equivalent N(7)Zr4 trigonal pyramids, corners with two equivalent O(2)Zr4 trigonal pyramids, corners with two equivalent O(4)Zr4 trigonal pyramids,  an edgeedge with one N(5)Zr4 trigonal pyramid,  an edgeedge with one N(6)Zr4 trigonal pyramid, and  an edgeedge with one N(7)Zr4 trigonal pyramid. In the fourth O site, O(4) is bonded to one Zr(1), one Zr(4), one Zr(6), and one Zr(8) atom to form distorted OZr4 trigonal pyramids that share corners with two equivalent N(1)Zr4 trigonal pyramids, corners with two equivalent N(3)Zr4 trigonal pyramids, corners with two equivalent N(6)Zr4 trigonal pyramids, corners with two equivalent N(7)Zr4 trigonal pyramids, corners with two equivalent O(3)Zr4 trigonal pyramids,  an edgeedge with one N(5)Zr4 trigonal pyramid,  an edgeedge with one N(6)Zr4 trigonal pyramid, and  an edgeedge with one O(1)Zr4 trigonal pyramid. is represented by the CIF card [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.529
_cell_length_b   5.576
_cell_length_c   10.329
_cell_angle_alpha   75.467
_cell_angle_beta   74.926
_cell_angle_gamma   60.665
_symmetry_Int_Tables_number   1
_cell_volume   265.179
_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
  Zr  Zr0  1  0.692  0.688  0.962  1.0
  Zr  Zr1  1  0.830  0.817  0.538  1.0
  Zr  Zr2  1  0.412  0.442  0.713  1.0
  Zr  Zr3  1  0.921  0.953  0.213  1.0
  Zr  Zr4  1  0.087  0.066  0.788  1.0
  Zr  Zr5  1  0.566  0.580  0.287  1.0
  Zr  Zr6  1  0.201  0.169  0.464  1.0
  Zr  Zr7  1  0.320  0.309  0.037  1.0
  N  N8  1  0.084  0.675  0.874  1.0
  N  N9  1  0.418  0.829  0.622  1.0
  N  N10  1  0.384  0.074  0.875  1.0
  N  N11  1  0.112  0.425  0.628  1.0
  N  N12  1  0.170  0.867  0.377  1.0
  N  N13  1  0.621  0.920  0.125  1.0
  N  N14  1  0.577  0.173  0.370  1.0
  N  N15  1  0.921  0.327  0.121  1.0
  O  O16  1  0.680  0.373  0.876  1.0
  O  O17  1  0.812  0.129  0.625  1.0
  O  O18  1  0.873  0.564  0.379  1.0
  O  O19  1  0.319  0.620  0.128  1.0
[/CIF]
.
The compound described by Zr2ON2 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(1), one N(3), one N(6), one N(8), one O(1), and one O(4) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 44-65°. In the second Zr site, Zr(2) is bonded to one N(2), one N(4), one N(5), one N(7), one O(2), and one O(3) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 42-67°. In the third Zr site, Zr(3) is bonded to one N(1), one N(2), one N(3), one N(4), one O(1), and one O(2) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 46-67°. In the fourth Zr site, Zr(4) is bonded to one N(5), one N(6), one N(7), one N(8), one O(3), and one O(4) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 44-66°. In the fifth Zr site, Zr(5) is bonded to one N(1), one N(2), one N(3), one N(4), one O(1), and one O(2) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 42-65°. In the sixth Zr site, Zr(6) is bonded to one N(5), one N(6), one N(7), one N(8), one O(3), and one O(4) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 47-68°. In the seventh Zr site, Zr(7) is bonded to one N(2), one N(4), one N(5), one N(7), one O(2), and one O(3) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 45-68°. In the eighth Zr site, Zr(8) is bonded to one N(1), one N(3), one N(6), one N(8), one O(1), and one O(4) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 47-66°. There are eight inequivalent N sites. In the first N site, N(1) is bonded to one Zr(1), one Zr(3), one Zr(5), and one Zr(8) atom to form distorted NZr4 trigonal pyramids that share corners with two equivalent N(3)Zr4 trigonal pyramids, corners with two equivalent N(6)Zr4 trigonal pyramids, corners with two equivalent O(1)Zr4 trigonal pyramids, corners with two equivalent O(2)Zr4 trigonal pyramids, corners with two equivalent O(4)Zr4 trigonal pyramids,  an edgeedge with one N(2)Zr4 trigonal pyramid,  an edgeedge with one N(3)Zr4 trigonal pyramid, and  an edgeedge with one O(1)Zr4 trigonal pyramid. In the second N site, N(2) is bonded to one Zr(2), one Zr(3), one Zr(5), and one Zr(7) atom to form distorted NZr4 trigonal pyramids that share corners with two equivalent N(3)Zr4 trigonal pyramids, corners with two equivalent N(5)Zr4 trigonal pyramids, corners with two equivalent O(1)Zr4 trigonal pyramids, corners with two equivalent O(2)Zr4 trigonal pyramids, corners with two equivalent O(3)Zr4 trigonal pyramids,  an edgeedge with one N(1)Zr4 trigonal pyramid,  an edgeedge with one N(7)Zr4 trigonal pyramid, and  an edgeedge with one O(2)Zr4 trigonal pyramid. In the third N site, N(3) is bonded to one Zr(1), one Zr(3), one Zr(5), and one Zr(8) atom to form distorted NZr4 trigonal pyramids that share corners with two equivalent N(1)Zr4 trigonal pyramids, corners with two equivalent N(2)Zr4 trigonal pyramids, corners with two equivalent O(1)Zr4 trigonal pyramids, corners with two equivalent O(2)Zr4 trigonal pyramids, corners with two equivalent O(4)Zr4 trigonal pyramids,  an edgeedge with one N(1)Zr4 trigonal pyramid,  an edgeedge with one N(6)Zr4 trigonal pyramid, and  an edgeedge with one O(1)Zr4 trigonal pyramid. In the fourth N site, N(4) is bonded in a distorted see-saw-like geometry to one Zr(2), one Zr(3), one Zr(5), and one Zr(7) atom. In the fifth N site, N(5) is bonded to one Zr(2), one Zr(4), one Zr(6), and one Zr(7) atom to form distorted NZr4 trigonal pyramids that share corners with two equivalent N(2)Zr4 trigonal pyramids, corners with two equivalent N(6)Zr4 trigonal pyramids, corners with two equivalent N(7)Zr4 trigonal pyramids, corners with two equivalent O(3)Zr4 trigonal pyramids,  an edgeedge with one N(7)Zr4 trigonal pyramid,  an edgeedge with one O(2)Zr4 trigonal pyramid,  an edgeedge with one O(3)Zr4 trigonal pyramid, and  an edgeedge with one O(4)Zr4 trigonal pyramid. In the sixth N site, N(6) is bonded to one Zr(1), one Zr(4), one Zr(6), and one Zr(8) atom to form distorted NZr4 trigonal pyramids that share corners with two equivalent N(1)Zr4 trigonal pyramids, corners with two equivalent N(5)Zr4 trigonal pyramids, corners with two equivalent N(7)Zr4 trigonal pyramids, corners with two equivalent O(1)Zr4 trigonal pyramids, corners with two equivalent O(4)Zr4 trigonal pyramids,  an edgeedge with one N(3)Zr4 trigonal pyramid,  an edgeedge with one O(3)Zr4 trigonal pyramid, and  an edgeedge with one O(4)Zr4 trigonal pyramid. In the seventh N site, N(7) is bonded to one Zr(2), one Zr(4), one Zr(6), and one Zr(7) atom to form distorted NZr4 trigonal pyramids that share corners with two equivalent N(5)Zr4 trigonal pyramids, corners with two equivalent N(6)Zr4 trigonal pyramids, corners with two equivalent O(2)Zr4 trigonal pyramids, corners with two equivalent O(3)Zr4 trigonal pyramids, corners with two equivalent O(4)Zr4 trigonal pyramids,  an edgeedge with one N(2)Zr4 trigonal pyramid,  an edgeedge with one N(5)Zr4 trigonal pyramid, and  an edgeedge with one O(3)Zr4 trigonal pyramid. In the eighth N site, N(8) is bonded in a distorted see-saw-like geometry to one Zr(1), one Zr(4), one Zr(6), and one Zr(8) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Zr(1), one Zr(3), one Zr(5), and one Zr(8) atom to form distorted OZr4 trigonal pyramids that share corners with two equivalent N(1)Zr4 trigonal pyramids, corners with two equivalent N(2)Zr4 trigonal pyramids, corners with two equivalent N(3)Zr4 trigonal pyramids, corners with two equivalent N(6)Zr4 trigonal pyramids,  an edgeedge with one N(1)Zr4 trigonal pyramid,  an edgeedge with one N(3)Zr4 trigonal pyramid,  an edgeedge with one O(2)Zr4 trigonal pyramid, and  an edgeedge with one O(4)Zr4 trigonal pyramid. In the second O site, O(2) is bonded to one Zr(2), one Zr(3), one Zr(5), and one Zr(7) atom to form distorted OZr4 trigonal pyramids that share corners with two equivalent N(1)Zr4 trigonal pyramids, corners with two equivalent N(2)Zr4 trigonal pyramids, corners with two equivalent N(3)Zr4 trigonal pyramids, corners with two equivalent N(7)Zr4 trigonal pyramids, corners with two equivalent O(3)Zr4 trigonal pyramids,  an edgeedge with one N(2)Zr4 trigonal pyramid,  an edgeedge with one N(5)Zr4 trigonal pyramid, and  an edgeedge with one O(1)Zr4 trigonal pyramid. In the third O site, O(3) is bonded to one Zr(2), one Zr(4), one Zr(6), and one Zr(7) atom to form distorted OZr4 trigonal pyramids that share corners with two equivalent N(2)Zr4 trigonal pyramids, corners with two equivalent N(5)Zr4 trigonal pyramids, corners with two equivalent N(7)Zr4 trigonal pyramids, corners with two equivalent O(2)Zr4 trigonal pyramids, corners with two equivalent O(4)Zr4 trigonal pyramids,  an edgeedge with one N(5)Zr4 trigonal pyramid,  an edgeedge with one N(6)Zr4 trigonal pyramid, and  an edgeedge with one N(7)Zr4 trigonal pyramid. In the fourth O site, O(4) is bonded to one Zr(1), one Zr(4), one Zr(6), and one Zr(8) atom to form distorted OZr4 trigonal pyramids that share corners with two equivalent N(1)Zr4 trigonal pyramids, corners with two equivalent N(3)Zr4 trigonal pyramids, corners with two equivalent N(6)Zr4 trigonal pyramids, corners with two equivalent N(7)Zr4 trigonal pyramids, corners with two equivalent O(3)Zr4 trigonal pyramids,  an edgeedge with one N(5)Zr4 trigonal pyramid,  an edgeedge with one N(6)Zr4 trigonal pyramid, and  an edgeedge with one O(1)Zr4 trigonal pyramid. is represented by the CIF card [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.529
_cell_length_b   5.576
_cell_length_c   10.329
_cell_angle_alpha   75.467
_cell_angle_beta   74.926
_cell_angle_gamma   60.665
_symmetry_Int_Tables_number   1
_cell_volume   265.179
_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
  Zr  Zr0  1  0.692  0.688  0.962  1.0
  Zr  Zr1  1  0.830  0.817  0.538  1.0
  Zr  Zr2  1  0.412  0.442  0.713  1.0
  Zr  Zr3  1  0.921  0.953  0.213  1.0
  Zr  Zr4  1  0.087  0.066  0.788  1.0
  Zr  Zr5  1  0.566  0.580  0.287  1.0
  Zr  Zr6  1  0.201  0.169  0.464  1.0
  Zr  Zr7  1  0.320  0.309  0.037  1.0
  N  N8  1  0.084  0.675  0.874  1.0
  N  N9  1  0.418  0.829  0.622  1.0
  N  N10  1  0.384  0.074  0.875  1.0
  N  N11  1  0.112  0.425  0.628  1.0
  N  N12  1  0.170  0.867  0.377  1.0
  N  N13  1  0.621  0.920  0.125  1.0
  N  N14  1  0.577  0.173  0.370  1.0
  N  N15  1  0.921  0.327  0.121  1.0
  O  O16  1  0.680  0.373  0.876  1.0
  O  O17  1  0.812  0.129  0.625  1.0
  O  O18  1  0.873  0.564  0.379  1.0
  O  O19  1  0.319  0.620  0.128  1.0
[/CIF]
.