The structure described by Zr2ON2 is Ilmenite-like structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(2), one N(4), two equivalent N(1), one O(1), and one O(2) atom to form a mixture of distorted edge, face, and corner-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 43-66°. In the second Zr site, Zr(2) is bonded to one N(2), one N(4), two equivalent N(3), one O(1), and one O(3) atom to form a mixture of distorted edge, face, and corner-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 45-67°. In the third Zr site, Zr(3) is bonded to one N(2), one N(4), two equivalent N(1), one O(1), and one O(2) atom to form a mixture of distorted edge, face, and corner-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 43-69°. In the fourth Zr site, Zr(4) is bonded to one N(2), one N(4), two equivalent N(3), one O(1), and one O(3) atom to form a mixture of distorted edge, face, and corner-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 47-69°. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted see-saw-like geometry to two equivalent Zr(1) and two equivalent Zr(3) atoms. In the second N site, N(2) is bonded to one Zr(1), one Zr(2), one Zr(3), and one Zr(4) atom to form distorted NZr4 trigonal pyramids that share corners with four equivalent N(3)Zr4 trigonal pyramids,  an edgeedge with one O(2)Zr4 trigonal pyramid, and  an edgeedge with one O(3)Zr4 trigonal pyramid. In the third N site, N(3) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form distorted NZr4 trigonal pyramids that share corners with two equivalent N(3)Zr4 trigonal pyramids, corners with two equivalent O(3)Zr4 trigonal pyramids, corners with four equivalent N(2)Zr4 trigonal pyramids,  an edgeedge with one N(3)Zr4 trigonal pyramid, and  an edgeedge with one O(3)Zr4 trigonal pyramid. In the fourth N site, N(4) is bonded in a distorted see-saw-like geometry to one Zr(1), one Zr(2), one Zr(3), and one Zr(4) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(2), one Zr(3), and one Zr(4) atom. In the second O site, O(2) is bonded to two equivalent Zr(1) and two equivalent Zr(3) atoms to form distorted OZr4 trigonal pyramids that share edges with two equivalent N(2)Zr4 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form distorted OZr4 trigonal pyramids that share corners with four equivalent N(3)Zr4 trigonal pyramids, edges with two equivalent N(2)Zr4 trigonal pyramids, and edges with two equivalent N(3)Zr4 trigonal pyramids. is represented by the CIF card [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.587
_cell_length_b   5.587
_cell_length_c   10.447
_cell_angle_alpha   73.888
_cell_angle_beta   73.888
_cell_angle_gamma   59.336
_symmetry_Int_Tables_number   1
_cell_volume   265.762
_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  0.567  0.835  0.912  1.0
  Zr  Zr1  1  0.656  0.925  0.587  1.0
  Zr  Zr2  1  0.796  0.082  0.162  1.0
  Zr  Zr3  1  0.918  0.204  0.838  1.0
  Zr  Zr4  1  0.075  0.344  0.413  1.0
  Zr  Zr5  1  0.428  0.687  0.338  1.0
  Zr  Zr6  1  0.313  0.572  0.662  1.0
  Zr  Zr7  1  0.165  0.433  0.088  1.0
  N  N8  1  0.584  0.114  0.005  1.0
  N  N9  1  0.337  0.169  0.751  1.0
  N  N10  1  0.080  0.625  0.503  1.0
  N  N11  1  0.375  0.920  0.497  1.0
  N  N12  1  0.631  0.577  0.744  1.0
  N  N13  1  0.831  0.663  0.249  1.0
  N  N14  1  0.886  0.416  0.995  1.0
  N  N15  1  0.423  0.369  0.256  1.0
  O  O16  1  0.129  0.065  0.242  1.0
  O  O17  1  0.191  0.809  0.000  1.0
  O  O18  1  0.935  0.871  0.758  1.0
  O  O19  1  0.682  0.318  0.500  1.0
[/CIF]
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The structure described by Zr2ON2 is Ilmenite-like structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(2), one N(4), two equivalent N(1), one O(1), and one O(2) atom to form a mixture of distorted edge, face, and corner-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 43-66°. In the second Zr site, Zr(2) is bonded to one N(2), one N(4), two equivalent N(3), one O(1), and one O(3) atom to form a mixture of distorted edge, face, and corner-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 45-67°. In the third Zr site, Zr(3) is bonded to one N(2), one N(4), two equivalent N(1), one O(1), and one O(2) atom to form a mixture of distorted edge, face, and corner-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 43-69°. In the fourth Zr site, Zr(4) is bonded to one N(2), one N(4), two equivalent N(3), one O(1), and one O(3) atom to form a mixture of distorted edge, face, and corner-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 47-69°. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted see-saw-like geometry to two equivalent Zr(1) and two equivalent Zr(3) atoms. In the second N site, N(2) is bonded to one Zr(1), one Zr(2), one Zr(3), and one Zr(4) atom to form distorted NZr4 trigonal pyramids that share corners with four equivalent N(3)Zr4 trigonal pyramids,  an edgeedge with one O(2)Zr4 trigonal pyramid, and  an edgeedge with one O(3)Zr4 trigonal pyramid. In the third N site, N(3) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form distorted NZr4 trigonal pyramids that share corners with two equivalent N(3)Zr4 trigonal pyramids, corners with two equivalent O(3)Zr4 trigonal pyramids, corners with four equivalent N(2)Zr4 trigonal pyramids,  an edgeedge with one N(3)Zr4 trigonal pyramid, and  an edgeedge with one O(3)Zr4 trigonal pyramid. In the fourth N site, N(4) is bonded in a distorted see-saw-like geometry to one Zr(1), one Zr(2), one Zr(3), and one Zr(4) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(2), one Zr(3), and one Zr(4) atom. In the second O site, O(2) is bonded to two equivalent Zr(1) and two equivalent Zr(3) atoms to form distorted OZr4 trigonal pyramids that share edges with two equivalent N(2)Zr4 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form distorted OZr4 trigonal pyramids that share corners with four equivalent N(3)Zr4 trigonal pyramids, edges with two equivalent N(2)Zr4 trigonal pyramids, and edges with two equivalent N(3)Zr4 trigonal pyramids. is represented by the CIF card [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.587
_cell_length_b   5.587
_cell_length_c   10.447
_cell_angle_alpha   73.888
_cell_angle_beta   73.888
_cell_angle_gamma   59.336
_symmetry_Int_Tables_number   1
_cell_volume   265.762
_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  0.567  0.835  0.912  1.0
  Zr  Zr1  1  0.656  0.925  0.587  1.0
  Zr  Zr2  1  0.796  0.082  0.162  1.0
  Zr  Zr3  1  0.918  0.204  0.838  1.0
  Zr  Zr4  1  0.075  0.344  0.413  1.0
  Zr  Zr5  1  0.428  0.687  0.338  1.0
  Zr  Zr6  1  0.313  0.572  0.662  1.0
  Zr  Zr7  1  0.165  0.433  0.088  1.0
  N  N8  1  0.584  0.114  0.005  1.0
  N  N9  1  0.337  0.169  0.751  1.0
  N  N10  1  0.080  0.625  0.503  1.0
  N  N11  1  0.375  0.920  0.497  1.0
  N  N12  1  0.631  0.577  0.744  1.0
  N  N13  1  0.831  0.663  0.249  1.0
  N  N14  1  0.886  0.416  0.995  1.0
  N  N15  1  0.423  0.369  0.256  1.0
  O  O16  1  0.129  0.065  0.242  1.0
  O  O17  1  0.191  0.809  0.000  1.0
  O  O18  1  0.935  0.871  0.758  1.0
  O  O19  1  0.682  0.318  0.500  1.0
[/CIF]
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