The compound described by Zr2ON2 crystallizes in the monoclinic C2/m space group. There are six inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(3), one N(4), two equivalent N(1), and two equivalent O(3) atoms to form distorted edge-sharing ZrN4O2 octahedra. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to one N(5), two equivalent N(2), one O(2), and two equivalent O(3) atoms. In the third Zr site, Zr(3) is bonded in a 7-coordinate geometry to two equivalent N(1), two equivalent N(4), and three equivalent O(1) atoms. In the fourth Zr site, Zr(4) is bonded in a 7-coordinate geometry to one N(3), two equivalent N(4), two equivalent N(5), one O(1), and one O(3) atom. In the fifth Zr site, Zr(5) is bonded in a 7-coordinate geometry to two equivalent N(2), three equivalent N(6), and two equivalent O(2) atoms. In the sixth Zr site, Zr(6) is bonded in a 7-coordinate geometry to one N(5), one N(6), two equivalent N(3), one O(3), and two equivalent O(2) atoms. There are six inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Zr(1) and two equivalent Zr(3) atoms to form NZr4 tetrahedra that share corners with two equivalent O(3)Zr6 octahedra, corners with two equivalent N(4)Zr5 square pyramids, corners with two equivalent N(1)Zr4 tetrahedra, corners with two equivalent N(3)Zr4 tetrahedra, corners with six equivalent O(1)Zr4 trigonal pyramids,  an edgeedge with one O(3)Zr6 octahedra, edges with two equivalent N(4)Zr5 square pyramids, and  an edgeedge with one N(1)Zr4 tetrahedra. The corner-sharing octahedral tilt angles are 11°. In the second N site, N(2) is bonded to two equivalent Zr(2) and two equivalent Zr(5) atoms to form NZr4 tetrahedra that share corners with two equivalent O(3)Zr6 octahedra, corners with two equivalent N(2)Zr4 tetrahedra, corners with two equivalent N(5)Zr4 tetrahedra, corners with two equivalent O(2)Zr5 trigonal bipyramids,  an edgeedge with one O(3)Zr6 octahedra,  an edgeedge with one N(2)Zr4 tetrahedra, and edges with two equivalent O(2)Zr5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 18°. In the third N site, N(3) is bonded to one Zr(1), one Zr(4), and two equivalent Zr(6) atoms to form NZr4 tetrahedra that share  a cornercorner with one O(3)Zr6 octahedra, corners with three equivalent N(4)Zr5 square pyramids, corners with two equivalent N(1)Zr4 tetrahedra, corners with two equivalent N(3)Zr4 tetrahedra, corners with two equivalent O(2)Zr5 trigonal bipyramids,  a cornercorner with one O(1)Zr4 trigonal pyramid, edges with two equivalent O(3)Zr6 octahedra, edges with two equivalent N(5)Zr4 tetrahedra, and  an edgeedge with one O(2)Zr5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 47°. In the fourth N site, N(4) is bonded to one Zr(1), two equivalent Zr(3), and two equivalent Zr(4) atoms to form distorted NZr5 square pyramids that share corners with two equivalent N(1)Zr4 tetrahedra, corners with two equivalent N(5)Zr4 tetrahedra, corners with three equivalent N(3)Zr4 tetrahedra, corners with two equivalent O(1)Zr4 trigonal pyramids, edges with two equivalent O(3)Zr6 octahedra, edges with two equivalent N(4)Zr5 square pyramids,  an edgeedge with one N(5)Zr4 tetrahedra, edges with two equivalent N(1)Zr4 tetrahedra, and edges with three equivalent O(1)Zr4 trigonal pyramids. In the fifth N site, N(5) is bonded to one Zr(2), one Zr(6), and two equivalent Zr(4) atoms to form NZr4 tetrahedra that share  a cornercorner with one O(3)Zr6 octahedra, corners with two equivalent N(4)Zr5 square pyramids, corners with two equivalent N(2)Zr4 tetrahedra, corners with two equivalent N(5)Zr4 tetrahedra, corners with three equivalent O(2)Zr5 trigonal bipyramids, corners with two equivalent O(1)Zr4 trigonal pyramids, edges with two equivalent O(3)Zr6 octahedra,  an edgeedge with one N(4)Zr5 square pyramid, and edges with two equivalent N(3)Zr4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the sixth N site, N(6) is bonded in a 4-coordinate geometry to one Zr(6) and three equivalent Zr(5) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Zr(4) and three equivalent Zr(3) atoms to form distorted OZr4 trigonal pyramids that share  a cornercorner with one O(3)Zr6 octahedra, corners with two equivalent N(4)Zr5 square pyramids,  a cornercorner with one N(3)Zr4 tetrahedra, corners with two equivalent N(5)Zr4 tetrahedra, corners with six equivalent N(1)Zr4 tetrahedra, corners with two equivalent O(1)Zr4 trigonal pyramids, edges with three equivalent N(4)Zr5 square pyramids, and edges with two equivalent O(1)Zr4 trigonal pyramids. The corner-sharing octahedral tilt angles are 41°. In the second O site, O(2) is bonded to one Zr(2), two equivalent Zr(5), and two equivalent Zr(6) atoms to form distorted OZr5 trigonal bipyramids that share corners with two equivalent N(2)Zr4 tetrahedra, corners with two equivalent N(3)Zr4 tetrahedra, corners with three equivalent N(5)Zr4 tetrahedra, edges with two equivalent O(3)Zr6 octahedra,  an edgeedge with one N(3)Zr4 tetrahedra, edges with two equivalent N(2)Zr4 tetrahedra, and edges with two equivalent O(2)Zr5 trigonal bipyramids. In the third O site, O(3) is bonded to one Zr(4), one Zr(6), two equivalent Zr(1), and two equivalent Zr(2) atoms to form OZr6 octahedra that share  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra, corners with two equivalent N(1)Zr4 tetrahedra, corners with two equivalent N(2)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 trigonal pyramid, edges with two equivalent O(3)Zr6 octahedra, edges with two equivalent N(4)Zr5 square pyramids,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one N(2)Zr4 tetrahedra, edges with two equivalent N(3)Zr4 tetrahedra, edges with two equivalent N(5)Zr4 tetrahedra, and edges with two equivalent O(2)Zr5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.044
_cell_length_b   7.044
_cell_length_c   16.678
_cell_angle_alpha   79.559
_cell_angle_beta   79.559
_cell_angle_gamma   27.562
_symmetry_Int_Tables_number   1
_cell_volume   376.132
_cell_formula_units_Z   6
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  0.970  0.970  0.155  1.0
  Zr  Zr1  1  0.963  0.963  0.652  1.0
  Zr  Zr2  1  0.372  0.372  0.987  1.0
  Zr  Zr3  1  0.305  0.305  0.817  1.0
  Zr  Zr4  1  0.365  0.365  0.497  1.0
  Zr  Zr5  1  0.695  0.695  0.183  1.0
  Zr  Zr6  1  0.303  0.303  0.315  1.0
  Zr  Zr7  1  0.628  0.628  0.013  1.0
  Zr  Zr8  1  0.697  0.697  0.685  1.0
  Zr  Zr9  1  0.635  0.635  0.503  1.0
  Zr  Zr10  1  0.030  0.030  0.845  1.0
  Zr  Zr11  1  0.037  0.037  0.348  1.0
  N  N12  1  0.466  0.466  0.079  1.0
  N  N13  1  0.474  0.474  0.578  1.0
  N  N14  1  0.827  0.827  0.234  1.0
  N  N15  1  0.872  0.872  0.894  1.0
  N  N16  1  0.828  0.828  0.736  1.0
  N  N17  1  0.796  0.796  0.562  1.0
  N  N18  1  0.128  0.128  0.106  1.0
  N  N19  1  0.173  0.173  0.766  1.0
  N  N20  1  0.204  0.204  0.438  1.0
  N  N21  1  0.172  0.172  0.264  1.0
  N  N22  1  0.534  0.534  0.921  1.0
  N  N23  1  0.526  0.526  0.422  1.0
  O  O24  1  0.792  0.792  0.060  1.0
  O  O25  1  0.874  0.874  0.387  1.0
  O  O26  1  0.208  0.208  0.940  1.0
  O  O27  1  0.126  0.126  0.613  1.0
  O  O28  1  0.500  0.500  0.750  1.0
  O  O29  1  0.500  0.500  0.250  1.0
[/CIF]
.
The compound described by Zr2ON2 crystallizes in the monoclinic C2/m space group. There are six inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(3), one N(4), two equivalent N(1), and two equivalent O(3) atoms to form distorted edge-sharing ZrN4O2 octahedra. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to one N(5), two equivalent N(2), one O(2), and two equivalent O(3) atoms. In the third Zr site, Zr(3) is bonded in a 7-coordinate geometry to two equivalent N(1), two equivalent N(4), and three equivalent O(1) atoms. In the fourth Zr site, Zr(4) is bonded in a 7-coordinate geometry to one N(3), two equivalent N(4), two equivalent N(5), one O(1), and one O(3) atom. In the fifth Zr site, Zr(5) is bonded in a 7-coordinate geometry to two equivalent N(2), three equivalent N(6), and two equivalent O(2) atoms. In the sixth Zr site, Zr(6) is bonded in a 7-coordinate geometry to one N(5), one N(6), two equivalent N(3), one O(3), and two equivalent O(2) atoms. There are six inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Zr(1) and two equivalent Zr(3) atoms to form NZr4 tetrahedra that share corners with two equivalent O(3)Zr6 octahedra, corners with two equivalent N(4)Zr5 square pyramids, corners with two equivalent N(1)Zr4 tetrahedra, corners with two equivalent N(3)Zr4 tetrahedra, corners with six equivalent O(1)Zr4 trigonal pyramids,  an edgeedge with one O(3)Zr6 octahedra, edges with two equivalent N(4)Zr5 square pyramids, and  an edgeedge with one N(1)Zr4 tetrahedra. The corner-sharing octahedral tilt angles are 11°. In the second N site, N(2) is bonded to two equivalent Zr(2) and two equivalent Zr(5) atoms to form NZr4 tetrahedra that share corners with two equivalent O(3)Zr6 octahedra, corners with two equivalent N(2)Zr4 tetrahedra, corners with two equivalent N(5)Zr4 tetrahedra, corners with two equivalent O(2)Zr5 trigonal bipyramids,  an edgeedge with one O(3)Zr6 octahedra,  an edgeedge with one N(2)Zr4 tetrahedra, and edges with two equivalent O(2)Zr5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 18°. In the third N site, N(3) is bonded to one Zr(1), one Zr(4), and two equivalent Zr(6) atoms to form NZr4 tetrahedra that share  a cornercorner with one O(3)Zr6 octahedra, corners with three equivalent N(4)Zr5 square pyramids, corners with two equivalent N(1)Zr4 tetrahedra, corners with two equivalent N(3)Zr4 tetrahedra, corners with two equivalent O(2)Zr5 trigonal bipyramids,  a cornercorner with one O(1)Zr4 trigonal pyramid, edges with two equivalent O(3)Zr6 octahedra, edges with two equivalent N(5)Zr4 tetrahedra, and  an edgeedge with one O(2)Zr5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 47°. In the fourth N site, N(4) is bonded to one Zr(1), two equivalent Zr(3), and two equivalent Zr(4) atoms to form distorted NZr5 square pyramids that share corners with two equivalent N(1)Zr4 tetrahedra, corners with two equivalent N(5)Zr4 tetrahedra, corners with three equivalent N(3)Zr4 tetrahedra, corners with two equivalent O(1)Zr4 trigonal pyramids, edges with two equivalent O(3)Zr6 octahedra, edges with two equivalent N(4)Zr5 square pyramids,  an edgeedge with one N(5)Zr4 tetrahedra, edges with two equivalent N(1)Zr4 tetrahedra, and edges with three equivalent O(1)Zr4 trigonal pyramids. In the fifth N site, N(5) is bonded to one Zr(2), one Zr(6), and two equivalent Zr(4) atoms to form NZr4 tetrahedra that share  a cornercorner with one O(3)Zr6 octahedra, corners with two equivalent N(4)Zr5 square pyramids, corners with two equivalent N(2)Zr4 tetrahedra, corners with two equivalent N(5)Zr4 tetrahedra, corners with three equivalent O(2)Zr5 trigonal bipyramids, corners with two equivalent O(1)Zr4 trigonal pyramids, edges with two equivalent O(3)Zr6 octahedra,  an edgeedge with one N(4)Zr5 square pyramid, and edges with two equivalent N(3)Zr4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the sixth N site, N(6) is bonded in a 4-coordinate geometry to one Zr(6) and three equivalent Zr(5) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Zr(4) and three equivalent Zr(3) atoms to form distorted OZr4 trigonal pyramids that share  a cornercorner with one O(3)Zr6 octahedra, corners with two equivalent N(4)Zr5 square pyramids,  a cornercorner with one N(3)Zr4 tetrahedra, corners with two equivalent N(5)Zr4 tetrahedra, corners with six equivalent N(1)Zr4 tetrahedra, corners with two equivalent O(1)Zr4 trigonal pyramids, edges with three equivalent N(4)Zr5 square pyramids, and edges with two equivalent O(1)Zr4 trigonal pyramids. The corner-sharing octahedral tilt angles are 41°. In the second O site, O(2) is bonded to one Zr(2), two equivalent Zr(5), and two equivalent Zr(6) atoms to form distorted OZr5 trigonal bipyramids that share corners with two equivalent N(2)Zr4 tetrahedra, corners with two equivalent N(3)Zr4 tetrahedra, corners with three equivalent N(5)Zr4 tetrahedra, edges with two equivalent O(3)Zr6 octahedra,  an edgeedge with one N(3)Zr4 tetrahedra, edges with two equivalent N(2)Zr4 tetrahedra, and edges with two equivalent O(2)Zr5 trigonal bipyramids. In the third O site, O(3) is bonded to one Zr(4), one Zr(6), two equivalent Zr(1), and two equivalent Zr(2) atoms to form OZr6 octahedra that share  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra, corners with two equivalent N(1)Zr4 tetrahedra, corners with two equivalent N(2)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 trigonal pyramid, edges with two equivalent O(3)Zr6 octahedra, edges with two equivalent N(4)Zr5 square pyramids,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one N(2)Zr4 tetrahedra, edges with two equivalent N(3)Zr4 tetrahedra, edges with two equivalent N(5)Zr4 tetrahedra, and edges with two equivalent O(2)Zr5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.044
_cell_length_b   7.044
_cell_length_c   16.678
_cell_angle_alpha   79.559
_cell_angle_beta   79.559
_cell_angle_gamma   27.562
_symmetry_Int_Tables_number   1
_cell_volume   376.132
_cell_formula_units_Z   6
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  0.970  0.970  0.155  1.0
  Zr  Zr1  1  0.963  0.963  0.652  1.0
  Zr  Zr2  1  0.372  0.372  0.987  1.0
  Zr  Zr3  1  0.305  0.305  0.817  1.0
  Zr  Zr4  1  0.365  0.365  0.497  1.0
  Zr  Zr5  1  0.695  0.695  0.183  1.0
  Zr  Zr6  1  0.303  0.303  0.315  1.0
  Zr  Zr7  1  0.628  0.628  0.013  1.0
  Zr  Zr8  1  0.697  0.697  0.685  1.0
  Zr  Zr9  1  0.635  0.635  0.503  1.0
  Zr  Zr10  1  0.030  0.030  0.845  1.0
  Zr  Zr11  1  0.037  0.037  0.348  1.0
  N  N12  1  0.466  0.466  0.079  1.0
  N  N13  1  0.474  0.474  0.578  1.0
  N  N14  1  0.827  0.827  0.234  1.0
  N  N15  1  0.872  0.872  0.894  1.0
  N  N16  1  0.828  0.828  0.736  1.0
  N  N17  1  0.796  0.796  0.562  1.0
  N  N18  1  0.128  0.128  0.106  1.0
  N  N19  1  0.173  0.173  0.766  1.0
  N  N20  1  0.204  0.204  0.438  1.0
  N  N21  1  0.172  0.172  0.264  1.0
  N  N22  1  0.534  0.534  0.921  1.0
  N  N23  1  0.526  0.526  0.422  1.0
  O  O24  1  0.792  0.792  0.060  1.0
  O  O25  1  0.874  0.874  0.387  1.0
  O  O26  1  0.208  0.208  0.940  1.0
  O  O27  1  0.126  0.126  0.613  1.0
  O  O28  1  0.500  0.500  0.750  1.0
  O  O29  1  0.500  0.500  0.250  1.0
[/CIF]
.