The material structure described by Zr2ON2 crystallizes in the monoclinic Cm space group. There are twelve inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(2), one N(8), two equivalent N(1), and two equivalent O(6) atoms to form distorted ZrN4O2 octahedra that share corners with two equivalent Zr(12)N4O2 octahedra,  an edgeedge with one Zr(12)N4O2 octahedra, edges with two equivalent Zr(1)N4O2 octahedra, and edges with two equivalent Zr(8)N5O2 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 1°. In the second Zr site, Zr(2) is bonded to one N(10), one N(5), two equivalent N(3), and two equivalent O(5) atoms to form distorted edge-sharing ZrN4O2 octahedra. In the third Zr site, Zr(3) is bonded in a 7-coordinate geometry to one N(1), one N(7), two equivalent N(4), one O(4), and two equivalent O(1) atoms. In the fourth Zr site, Zr(4) is bonded in a 7-coordinate geometry to one N(7), one N(9), two equivalent N(4), two equivalent N(5), and one O(5) atom. In the fifth Zr site, Zr(5) is bonded in a 7-coordinate geometry to one N(12), one N(3), two equivalent N(6), one O(3), and two equivalent O(2) atoms. In the sixth Zr site, Zr(6) is bonded in a 7-coordinate geometry to one N(2), two equivalent N(11), two equivalent N(8), one O(1), and one O(6) atom. In the seventh Zr site, Zr(7) is bonded in a 7-coordinate geometry to one N(11), two equivalent N(2), two equivalent N(6), one O(3), and one O(6) atom. In the eighth Zr site, Zr(8) is bonded to one N(1), two equivalent N(7), two equivalent N(8), one O(1), and one O(4) atom to form distorted ZrN5O2 pentagonal bipyramids that share edges with two equivalent Zr(1)N4O2 octahedra and edges with two equivalent Zr(8)N5O2 pentagonal bipyramids. In the ninth Zr site, Zr(9) is bonded in a 7-coordinate geometry to one N(5), two equivalent N(10), two equivalent N(9), one O(2), and one O(5) atom. In the tenth Zr site, Zr(10) is bonded in a 7-coordinate geometry to one N(12), one N(3), two equivalent N(10), one O(2), and two equivalent O(3) atoms. In the eleventh Zr site, Zr(11) is bonded in a 6-coordinate geometry to one N(4), one N(9), two equivalent O(4), and two equivalent O(5) atoms. In the twelfth Zr site, Zr(12) is bonded to one N(11), one N(6), two equivalent N(12), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles are 1°. There are twelve inequivalent N sites. In the first N site, N(1) is bonded to one Zr(3), one Zr(8), and two equivalent Zr(1) atoms to form distorted NZr4 tetrahedra that share corners with two equivalent O(6)Zr6 octahedra, corners with two equivalent N(1)Zr4 tetrahedra, corners with two equivalent N(2)Zr4 tetrahedra, corners with two equivalent N(4)Zr5 trigonal bipyramids, corners with three equivalent O(1)Zr4 trigonal pyramids,  an edgeedge with one O(6)Zr6 octahedra,  an edgeedge with one O(4)Zr4 tetrahedra, and edges with two equivalent N(8)Zr5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°. In the second N site, N(2) is bonded to one Zr(1), one Zr(6), and two equivalent Zr(7) atoms to form NZr4 tetrahedra that share  a cornercorner with one O(6)Zr6 octahedra, corners with two equivalent N(6)Zr5 square pyramids, corners with two equivalent N(1)Zr4 tetrahedra, corners with two equivalent N(2)Zr4 tetrahedra, corners with three equivalent N(8)Zr5 trigonal bipyramids,  a cornercorner with one O(1)Zr4 trigonal pyramid, corners with two equivalent O(3)Zr4 trigonal pyramids, edges with two equivalent O(6)Zr6 octahedra,  an edgeedge with one N(6)Zr5 square pyramid, and edges with two equivalent N(11)Zr4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. In the third N site, N(3) is bonded to one Zr(10), one Zr(5), and two equivalent Zr(2) atoms to form distorted NZr4 tetrahedra that share corners with two equivalent O(5)Zr6 octahedra, corners with two equivalent N(6)Zr5 square pyramids, corners with two equivalent N(3)Zr4 tetrahedra, corners with two equivalent N(5)Zr4 tetrahedra, corners with three equivalent O(2)Zr4 trigonal pyramids, corners with three equivalent O(3)Zr4 trigonal pyramids,  an edgeedge with one O(5)Zr6 octahedra,  an edgeedge with one N(12)Zr4 tetrahedra, and edges with two equivalent N(10)Zr5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 13°. In the fourth N site, N(4) is bonded to one Zr(11), two equivalent Zr(3), and two equivalent Zr(4) atoms to form distorted NZr5 trigonal bipyramids that share corners with two equivalent N(1)Zr4 tetrahedra, corners with two equivalent N(5)Zr4 tetrahedra, corners with three equivalent N(9)Zr4 tetrahedra, corners with two equivalent O(1)Zr4 trigonal pyramids, edges with two equivalent O(5)Zr6 octahedra,  an edgeedge with one N(5)Zr4 tetrahedra, edges with two equivalent O(4)Zr4 tetrahedra, edges with two equivalent N(4)Zr5 trigonal bipyramids, and  an edgeedge with one O(1)Zr4 trigonal pyramid. In the fifth N site, N(5) is bonded to one Zr(2), one Zr(9), and two equivalent Zr(4) atoms to form NZr4 tetrahedra that share  a cornercorner with one O(5)Zr6 octahedra, corners with two equivalent N(3)Zr4 tetrahedra, corners with two equivalent N(5)Zr4 tetrahedra, corners with two equivalent N(4)Zr5 trigonal bipyramids, corners with three equivalent N(10)Zr5 trigonal bipyramids,  a cornercorner with one O(2)Zr4 trigonal pyramid, edges with two equivalent O(5)Zr6 octahedra, edges with two equivalent N(9)Zr4 tetrahedra, and  an edgeedge with one N(4)Zr5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. In the sixth N site, N(6) is bonded to one Zr(12), two equivalent Zr(5), and two equivalent Zr(7) atoms to form distorted NZr5 square pyramids that share corners with two equivalent N(2)Zr4 tetrahedra, corners with two equivalent N(3)Zr4 tetrahedra, corners with three equivalent N(11)Zr4 tetrahedra, corners with two equivalent O(2)Zr4 trigonal pyramids, edges with two equivalent O(6)Zr6 octahedra, edges with two equivalent N(6)Zr5 square pyramids,  an edgeedge with one N(2)Zr4 tetrahedra, edges with two equivalent N(12)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 trigonal pyramid, and edges with two equivalent O(3)Zr4 trigonal pyramids. In the seventh N site, N(7) is bonded in a 4-coordinate geometry to one Zr(3), one Zr(4), and two equivalent Zr(8) atoms. In the eighth N site, N(8) is bonded to one Zr(1), two equivalent Zr(6), and two equivalent Zr(8) atoms to form distorted NZr5 trigonal bipyramids that share corners with two equivalent N(11)Zr4 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with three equivalent N(2)Zr4 tetrahedra, edges with two equivalent O(6)Zr6 octahedra,  an edgeedge with one N(11)Zr4 tetrahedra, edges with two equivalent N(1)Zr4 tetrahedra, edges with two equivalent N(8)Zr5 trigonal bipyramids, and edges with two equivalent O(1)Zr4 trigonal pyramids. In the ninth N site, N(9) is bonded to one Zr(11), one Zr(4), and two equivalent Zr(9) atoms to form NZr4 tetrahedra that share  a cornercorner with one O(5)Zr6 octahedra, corners with two equivalent N(9)Zr4 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with two equivalent N(10)Zr5 trigonal bipyramids, corners with three equivalent N(4)Zr5 trigonal bipyramids, corners with two equivalent O(2)Zr4 trigonal pyramids, edges with two equivalent O(5)Zr6 octahedra, edges with two equivalent N(5)Zr4 tetrahedra, and  an edgeedge with one N(10)Zr5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 46°. In the tenth N site, N(10) is bonded to one Zr(2), two equivalent Zr(10), and two equivalent Zr(9) atoms to form distorted NZr5 trigonal bipyramids that share corners with two equivalent N(12)Zr4 tetrahedra, corners with two equivalent N(9)Zr4 tetrahedra, corners with three equivalent N(5)Zr4 tetrahedra, corners with two equivalent O(3)Zr4 trigonal pyramids, edges with two equivalent O(5)Zr6 octahedra,  an edgeedge with one N(9)Zr4 tetrahedra, edges with two equivalent N(3)Zr4 tetrahedra, edges with two equivalent N(10)Zr5 trigonal bipyramids,  an edgeedge with one O(3)Zr4 trigonal pyramid, and edges with two equivalent O(2)Zr4 trigonal pyramids. In the eleventh N site, N(11) is bonded to one Zr(12), one Zr(7), and two equivalent Zr(6) atoms to form NZr4 tetrahedra that share  a cornercorner with one O(6)Zr6 octahedra, corners with three equivalent N(6)Zr5 square pyramids, corners with two equivalent N(11)Zr4 tetrahedra, corners with two equivalent N(12)Zr4 tetrahedra, corners with two equivalent N(8)Zr5 trigonal bipyramids,  a cornercorner with one O(3)Zr4 trigonal pyramid, corners with two equivalent O(1)Zr4 trigonal pyramids, edges with two equivalent O(6)Zr6 octahedra, edges with two equivalent N(2)Zr4 tetrahedra, and  an edgeedge with one N(8)Zr5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 43°. In the twelfth N site, N(12) is bonded to one Zr(10), one Zr(5), and two equivalent Zr(12) atoms to form distorted NZr4 tetrahedra that share corners with two equivalent O(6)Zr6 octahedra, corners with two equivalent N(11)Zr4 tetrahedra, corners with two equivalent N(12)Zr4 tetrahedra, corners with two equivalent N(10)Zr5 trigonal bipyramids, corners with three equivalent O(2)Zr4 trigonal pyramids, corners with three equivalent O(3)Zr4 trigonal pyramids,  an edgeedge with one O(6)Zr6 octahedra, edges with two equivalent N(6)Zr5 square pyramids, and  an edgeedge with one N(3)Zr4 tetrahedra. The corner-sharing octahedral tilt angles are 11°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Zr(6), one Zr(8), and two equivalent Zr(3) atoms to form distorted OZr4 trigonal pyramids that share  a cornercorner with one O(6)Zr6 octahedra,  a cornercorner with one N(2)Zr4 tetrahedra, corners with two equivalent N(11)Zr4 tetrahedra, corners with three equivalent N(1)Zr4 tetrahedra, corners with three equivalent O(4)Zr4 tetrahedra, corners with two equivalent N(4)Zr5 trigonal bipyramids, corners with two equivalent O(1)Zr4 trigonal pyramids,  an edgeedge with one N(4)Zr5 trigonal bipyramid, and edges with two equivalent N(8)Zr5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 43°. In the second O site, O(2) is bonded to one Zr(10), one Zr(9), and two equivalent Zr(5) atoms to form distorted OZr4 trigonal pyramids that share  a cornercorner with one O(5)Zr6 octahedra, corners with two equivalent N(6)Zr5 square pyramids,  a cornercorner with one N(5)Zr4 tetrahedra, corners with two equivalent N(9)Zr4 tetrahedra, corners with three equivalent N(12)Zr4 tetrahedra, corners with three equivalent N(3)Zr4 tetrahedra, corners with two equivalent O(2)Zr4 trigonal pyramids,  an edgeedge with one N(6)Zr5 square pyramid, edges with two equivalent N(10)Zr5 trigonal bipyramids, and edges with two equivalent O(3)Zr4 trigonal pyramids. The corner-sharing octahedral tilt angles are 39°. In the third O site, O(3) is bonded to one Zr(5), one Zr(7), and two equivalent Zr(10) atoms to form distorted OZr4 trigonal pyramids that share  a cornercorner with one O(6)Zr6 octahedra,  a cornercorner with one N(11)Zr4 tetrahedra, corners with two equivalent N(2)Zr4 tetrahedra, corners with three equivalent N(12)Zr4 tetrahedra, corners with three equivalent N(3)Zr4 tetrahedra, corners with two equivalent N(10)Zr5 trigonal bipyramids, corners with two equivalent O(3)Zr4 trigonal pyramids, edges with two equivalent N(6)Zr5 square pyramids,  an edgeedge with one N(10)Zr5 trigonal bipyramid, and edges with two equivalent O(2)Zr4 trigonal pyramids. The corner-sharing octahedral tilt angles are 43°. In the fourth O site, O(4) is bonded to one Zr(3), one Zr(8), and two equivalent Zr(11) atoms to form OZr4 tetrahedra that share corners with two equivalent O(5)Zr6 octahedra, corners with two equivalent N(9)Zr4 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with two equivalent N(8)Zr5 trigonal bipyramids, corners with three equivalent O(1)Zr4 trigonal pyramids,  an edgeedge with one O(5)Zr6 octahedra,  an edgeedge with one N(1)Zr4 tetrahedra, and edges with two equivalent N(4)Zr5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 15°. In the fifth O site, O(5) is bonded to one Zr(4), one Zr(9), two equivalent Zr(11), and two equivalent Zr(2) atoms to form OZr6 octahedra that share  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(9)Zr4 tetrahedra, corners with two equivalent N(3)Zr4 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 trigonal pyramid, edges with two equivalent O(5)Zr6 octahedra,  an edgeedge with one N(3)Zr4 tetrahedra,  an edgeedge with one O(4)Zr4 tetrahedra, edges with two equivalent N(5)Zr4 tetrahedra, edges with two equivalent N(9)Zr4 tetrahedra, edges with two equivalent N(10)Zr5 trigonal bipyramids, and edges with two equivalent N(4)Zr5 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Zr(6), one Zr(7), two equivalent Zr(1), and two equivalent Zr(12) atoms to form OZr6 octahedra that share  a cornercorner with one N(11)Zr4 tetrahedra,  a cornercorner with one N(2)Zr4 tetrahedra, corners with two equivalent N(1)Zr4 tetrahedra, corners with two equivalent N(12)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid, edges with two equivalent O(6)Zr6 octahedra, edges with two equivalent N(6)Zr5 square pyramids,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one N(12)Zr4 tetrahedra, edges with two equivalent N(11)Zr4 tetrahedra, edges with two equivalent N(2)Zr4 tetrahedra, and edges with two equivalent N(8)Zr5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.100
_cell_length_b   7.100
_cell_length_c   16.646
_cell_angle_alpha   80.022
_cell_angle_beta   80.022
_cell_angle_gamma   27.119
_symmetry_Int_Tables_number   1
_cell_volume   376.421
_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  0.029  0.029  0.099  1.0
  Zr  Zr1  1  0.031  0.031  0.596  1.0
  Zr  Zr2  1  0.635  0.635  0.262  1.0
  Zr  Zr3  1  0.697  0.697  0.432  1.0
  Zr  Zr4  1  0.630  0.630  0.764  1.0
  Zr  Zr5  1  0.308  0.308  0.064  1.0
  Zr  Zr6  1  0.694  0.694  0.936  1.0
  Zr  Zr7  1  0.364  0.364  0.240  1.0
  Zr  Zr8  1  0.302  0.302  0.568  1.0
  Zr  Zr9  1  0.371  0.371  0.738  1.0
  Zr  Zr10  1  0.962  0.962  0.405  1.0
  Zr  Zr11  1  0.970  0.970  0.904  1.0
  N  N12  1  0.533  0.533  0.176  1.0
  N  N13  1  0.171  0.171  0.019  1.0
  N  N14  1  0.535  0.535  0.670  1.0
  N  N15  1  0.122  0.122  0.355  1.0
  N  N16  1  0.171  0.171  0.515  1.0
  N  N17  1  0.128  0.128  0.856  1.0
  N  N18  1  0.800  0.800  0.314  1.0
  N  N19  1  0.873  0.873  0.137  1.0
  N  N20  1  0.828  0.828  0.486  1.0
  N  N21  1  0.873  0.873  0.644  1.0
  N  N22  1  0.828  0.828  0.979  1.0
  N  N23  1  0.467  0.467  0.828  1.0
  O  O24  1  0.214  0.214  0.191  1.0
  O  O25  1  0.208  0.208  0.690  1.0
  O  O26  1  0.790  0.790  0.808  1.0
  O  O27  1  0.468  0.468  0.330  1.0
  O  O28  1  0.497  0.497  0.494  1.0
  O  O29  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material structure described by Zr2ON2 crystallizes in the monoclinic Cm space group. There are twelve inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(2), one N(8), two equivalent N(1), and two equivalent O(6) atoms to form distorted ZrN4O2 octahedra that share corners with two equivalent Zr(12)N4O2 octahedra,  an edgeedge with one Zr(12)N4O2 octahedra, edges with two equivalent Zr(1)N4O2 octahedra, and edges with two equivalent Zr(8)N5O2 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 1°. In the second Zr site, Zr(2) is bonded to one N(10), one N(5), two equivalent N(3), and two equivalent O(5) atoms to form distorted edge-sharing ZrN4O2 octahedra. In the third Zr site, Zr(3) is bonded in a 7-coordinate geometry to one N(1), one N(7), two equivalent N(4), one O(4), and two equivalent O(1) atoms. In the fourth Zr site, Zr(4) is bonded in a 7-coordinate geometry to one N(7), one N(9), two equivalent N(4), two equivalent N(5), and one O(5) atom. In the fifth Zr site, Zr(5) is bonded in a 7-coordinate geometry to one N(12), one N(3), two equivalent N(6), one O(3), and two equivalent O(2) atoms. In the sixth Zr site, Zr(6) is bonded in a 7-coordinate geometry to one N(2), two equivalent N(11), two equivalent N(8), one O(1), and one O(6) atom. In the seventh Zr site, Zr(7) is bonded in a 7-coordinate geometry to one N(11), two equivalent N(2), two equivalent N(6), one O(3), and one O(6) atom. In the eighth Zr site, Zr(8) is bonded to one N(1), two equivalent N(7), two equivalent N(8), one O(1), and one O(4) atom to form distorted ZrN5O2 pentagonal bipyramids that share edges with two equivalent Zr(1)N4O2 octahedra and edges with two equivalent Zr(8)N5O2 pentagonal bipyramids. In the ninth Zr site, Zr(9) is bonded in a 7-coordinate geometry to one N(5), two equivalent N(10), two equivalent N(9), one O(2), and one O(5) atom. In the tenth Zr site, Zr(10) is bonded in a 7-coordinate geometry to one N(12), one N(3), two equivalent N(10), one O(2), and two equivalent O(3) atoms. In the eleventh Zr site, Zr(11) is bonded in a 6-coordinate geometry to one N(4), one N(9), two equivalent O(4), and two equivalent O(5) atoms. In the twelfth Zr site, Zr(12) is bonded to one N(11), one N(6), two equivalent N(12), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles are 1°. There are twelve inequivalent N sites. In the first N site, N(1) is bonded to one Zr(3), one Zr(8), and two equivalent Zr(1) atoms to form distorted NZr4 tetrahedra that share corners with two equivalent O(6)Zr6 octahedra, corners with two equivalent N(1)Zr4 tetrahedra, corners with two equivalent N(2)Zr4 tetrahedra, corners with two equivalent N(4)Zr5 trigonal bipyramids, corners with three equivalent O(1)Zr4 trigonal pyramids,  an edgeedge with one O(6)Zr6 octahedra,  an edgeedge with one O(4)Zr4 tetrahedra, and edges with two equivalent N(8)Zr5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°. In the second N site, N(2) is bonded to one Zr(1), one Zr(6), and two equivalent Zr(7) atoms to form NZr4 tetrahedra that share  a cornercorner with one O(6)Zr6 octahedra, corners with two equivalent N(6)Zr5 square pyramids, corners with two equivalent N(1)Zr4 tetrahedra, corners with two equivalent N(2)Zr4 tetrahedra, corners with three equivalent N(8)Zr5 trigonal bipyramids,  a cornercorner with one O(1)Zr4 trigonal pyramid, corners with two equivalent O(3)Zr4 trigonal pyramids, edges with two equivalent O(6)Zr6 octahedra,  an edgeedge with one N(6)Zr5 square pyramid, and edges with two equivalent N(11)Zr4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. In the third N site, N(3) is bonded to one Zr(10), one Zr(5), and two equivalent Zr(2) atoms to form distorted NZr4 tetrahedra that share corners with two equivalent O(5)Zr6 octahedra, corners with two equivalent N(6)Zr5 square pyramids, corners with two equivalent N(3)Zr4 tetrahedra, corners with two equivalent N(5)Zr4 tetrahedra, corners with three equivalent O(2)Zr4 trigonal pyramids, corners with three equivalent O(3)Zr4 trigonal pyramids,  an edgeedge with one O(5)Zr6 octahedra,  an edgeedge with one N(12)Zr4 tetrahedra, and edges with two equivalent N(10)Zr5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 13°. In the fourth N site, N(4) is bonded to one Zr(11), two equivalent Zr(3), and two equivalent Zr(4) atoms to form distorted NZr5 trigonal bipyramids that share corners with two equivalent N(1)Zr4 tetrahedra, corners with two equivalent N(5)Zr4 tetrahedra, corners with three equivalent N(9)Zr4 tetrahedra, corners with two equivalent O(1)Zr4 trigonal pyramids, edges with two equivalent O(5)Zr6 octahedra,  an edgeedge with one N(5)Zr4 tetrahedra, edges with two equivalent O(4)Zr4 tetrahedra, edges with two equivalent N(4)Zr5 trigonal bipyramids, and  an edgeedge with one O(1)Zr4 trigonal pyramid. In the fifth N site, N(5) is bonded to one Zr(2), one Zr(9), and two equivalent Zr(4) atoms to form NZr4 tetrahedra that share  a cornercorner with one O(5)Zr6 octahedra, corners with two equivalent N(3)Zr4 tetrahedra, corners with two equivalent N(5)Zr4 tetrahedra, corners with two equivalent N(4)Zr5 trigonal bipyramids, corners with three equivalent N(10)Zr5 trigonal bipyramids,  a cornercorner with one O(2)Zr4 trigonal pyramid, edges with two equivalent O(5)Zr6 octahedra, edges with two equivalent N(9)Zr4 tetrahedra, and  an edgeedge with one N(4)Zr5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. In the sixth N site, N(6) is bonded to one Zr(12), two equivalent Zr(5), and two equivalent Zr(7) atoms to form distorted NZr5 square pyramids that share corners with two equivalent N(2)Zr4 tetrahedra, corners with two equivalent N(3)Zr4 tetrahedra, corners with three equivalent N(11)Zr4 tetrahedra, corners with two equivalent O(2)Zr4 trigonal pyramids, edges with two equivalent O(6)Zr6 octahedra, edges with two equivalent N(6)Zr5 square pyramids,  an edgeedge with one N(2)Zr4 tetrahedra, edges with two equivalent N(12)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 trigonal pyramid, and edges with two equivalent O(3)Zr4 trigonal pyramids. In the seventh N site, N(7) is bonded in a 4-coordinate geometry to one Zr(3), one Zr(4), and two equivalent Zr(8) atoms. In the eighth N site, N(8) is bonded to one Zr(1), two equivalent Zr(6), and two equivalent Zr(8) atoms to form distorted NZr5 trigonal bipyramids that share corners with two equivalent N(11)Zr4 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with three equivalent N(2)Zr4 tetrahedra, edges with two equivalent O(6)Zr6 octahedra,  an edgeedge with one N(11)Zr4 tetrahedra, edges with two equivalent N(1)Zr4 tetrahedra, edges with two equivalent N(8)Zr5 trigonal bipyramids, and edges with two equivalent O(1)Zr4 trigonal pyramids. In the ninth N site, N(9) is bonded to one Zr(11), one Zr(4), and two equivalent Zr(9) atoms to form NZr4 tetrahedra that share  a cornercorner with one O(5)Zr6 octahedra, corners with two equivalent N(9)Zr4 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with two equivalent N(10)Zr5 trigonal bipyramids, corners with three equivalent N(4)Zr5 trigonal bipyramids, corners with two equivalent O(2)Zr4 trigonal pyramids, edges with two equivalent O(5)Zr6 octahedra, edges with two equivalent N(5)Zr4 tetrahedra, and  an edgeedge with one N(10)Zr5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 46°. In the tenth N site, N(10) is bonded to one Zr(2), two equivalent Zr(10), and two equivalent Zr(9) atoms to form distorted NZr5 trigonal bipyramids that share corners with two equivalent N(12)Zr4 tetrahedra, corners with two equivalent N(9)Zr4 tetrahedra, corners with three equivalent N(5)Zr4 tetrahedra, corners with two equivalent O(3)Zr4 trigonal pyramids, edges with two equivalent O(5)Zr6 octahedra,  an edgeedge with one N(9)Zr4 tetrahedra, edges with two equivalent N(3)Zr4 tetrahedra, edges with two equivalent N(10)Zr5 trigonal bipyramids,  an edgeedge with one O(3)Zr4 trigonal pyramid, and edges with two equivalent O(2)Zr4 trigonal pyramids. In the eleventh N site, N(11) is bonded to one Zr(12), one Zr(7), and two equivalent Zr(6) atoms to form NZr4 tetrahedra that share  a cornercorner with one O(6)Zr6 octahedra, corners with three equivalent N(6)Zr5 square pyramids, corners with two equivalent N(11)Zr4 tetrahedra, corners with two equivalent N(12)Zr4 tetrahedra, corners with two equivalent N(8)Zr5 trigonal bipyramids,  a cornercorner with one O(3)Zr4 trigonal pyramid, corners with two equivalent O(1)Zr4 trigonal pyramids, edges with two equivalent O(6)Zr6 octahedra, edges with two equivalent N(2)Zr4 tetrahedra, and  an edgeedge with one N(8)Zr5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 43°. In the twelfth N site, N(12) is bonded to one Zr(10), one Zr(5), and two equivalent Zr(12) atoms to form distorted NZr4 tetrahedra that share corners with two equivalent O(6)Zr6 octahedra, corners with two equivalent N(11)Zr4 tetrahedra, corners with two equivalent N(12)Zr4 tetrahedra, corners with two equivalent N(10)Zr5 trigonal bipyramids, corners with three equivalent O(2)Zr4 trigonal pyramids, corners with three equivalent O(3)Zr4 trigonal pyramids,  an edgeedge with one O(6)Zr6 octahedra, edges with two equivalent N(6)Zr5 square pyramids, and  an edgeedge with one N(3)Zr4 tetrahedra. The corner-sharing octahedral tilt angles are 11°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Zr(6), one Zr(8), and two equivalent Zr(3) atoms to form distorted OZr4 trigonal pyramids that share  a cornercorner with one O(6)Zr6 octahedra,  a cornercorner with one N(2)Zr4 tetrahedra, corners with two equivalent N(11)Zr4 tetrahedra, corners with three equivalent N(1)Zr4 tetrahedra, corners with three equivalent O(4)Zr4 tetrahedra, corners with two equivalent N(4)Zr5 trigonal bipyramids, corners with two equivalent O(1)Zr4 trigonal pyramids,  an edgeedge with one N(4)Zr5 trigonal bipyramid, and edges with two equivalent N(8)Zr5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 43°. In the second O site, O(2) is bonded to one Zr(10), one Zr(9), and two equivalent Zr(5) atoms to form distorted OZr4 trigonal pyramids that share  a cornercorner with one O(5)Zr6 octahedra, corners with two equivalent N(6)Zr5 square pyramids,  a cornercorner with one N(5)Zr4 tetrahedra, corners with two equivalent N(9)Zr4 tetrahedra, corners with three equivalent N(12)Zr4 tetrahedra, corners with three equivalent N(3)Zr4 tetrahedra, corners with two equivalent O(2)Zr4 trigonal pyramids,  an edgeedge with one N(6)Zr5 square pyramid, edges with two equivalent N(10)Zr5 trigonal bipyramids, and edges with two equivalent O(3)Zr4 trigonal pyramids. The corner-sharing octahedral tilt angles are 39°. In the third O site, O(3) is bonded to one Zr(5), one Zr(7), and two equivalent Zr(10) atoms to form distorted OZr4 trigonal pyramids that share  a cornercorner with one O(6)Zr6 octahedra,  a cornercorner with one N(11)Zr4 tetrahedra, corners with two equivalent N(2)Zr4 tetrahedra, corners with three equivalent N(12)Zr4 tetrahedra, corners with three equivalent N(3)Zr4 tetrahedra, corners with two equivalent N(10)Zr5 trigonal bipyramids, corners with two equivalent O(3)Zr4 trigonal pyramids, edges with two equivalent N(6)Zr5 square pyramids,  an edgeedge with one N(10)Zr5 trigonal bipyramid, and edges with two equivalent O(2)Zr4 trigonal pyramids. The corner-sharing octahedral tilt angles are 43°. In the fourth O site, O(4) is bonded to one Zr(3), one Zr(8), and two equivalent Zr(11) atoms to form OZr4 tetrahedra that share corners with two equivalent O(5)Zr6 octahedra, corners with two equivalent N(9)Zr4 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with two equivalent N(8)Zr5 trigonal bipyramids, corners with three equivalent O(1)Zr4 trigonal pyramids,  an edgeedge with one O(5)Zr6 octahedra,  an edgeedge with one N(1)Zr4 tetrahedra, and edges with two equivalent N(4)Zr5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 15°. In the fifth O site, O(5) is bonded to one Zr(4), one Zr(9), two equivalent Zr(11), and two equivalent Zr(2) atoms to form OZr6 octahedra that share  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(9)Zr4 tetrahedra, corners with two equivalent N(3)Zr4 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 trigonal pyramid, edges with two equivalent O(5)Zr6 octahedra,  an edgeedge with one N(3)Zr4 tetrahedra,  an edgeedge with one O(4)Zr4 tetrahedra, edges with two equivalent N(5)Zr4 tetrahedra, edges with two equivalent N(9)Zr4 tetrahedra, edges with two equivalent N(10)Zr5 trigonal bipyramids, and edges with two equivalent N(4)Zr5 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Zr(6), one Zr(7), two equivalent Zr(1), and two equivalent Zr(12) atoms to form OZr6 octahedra that share  a cornercorner with one N(11)Zr4 tetrahedra,  a cornercorner with one N(2)Zr4 tetrahedra, corners with two equivalent N(1)Zr4 tetrahedra, corners with two equivalent N(12)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid, edges with two equivalent O(6)Zr6 octahedra, edges with two equivalent N(6)Zr5 square pyramids,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one N(12)Zr4 tetrahedra, edges with two equivalent N(11)Zr4 tetrahedra, edges with two equivalent N(2)Zr4 tetrahedra, and edges with two equivalent N(8)Zr5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.100
_cell_length_b   7.100
_cell_length_c   16.646
_cell_angle_alpha   80.022
_cell_angle_beta   80.022
_cell_angle_gamma   27.119
_symmetry_Int_Tables_number   1
_cell_volume   376.421
_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  0.029  0.029  0.099  1.0
  Zr  Zr1  1  0.031  0.031  0.596  1.0
  Zr  Zr2  1  0.635  0.635  0.262  1.0
  Zr  Zr3  1  0.697  0.697  0.432  1.0
  Zr  Zr4  1  0.630  0.630  0.764  1.0
  Zr  Zr5  1  0.308  0.308  0.064  1.0
  Zr  Zr6  1  0.694  0.694  0.936  1.0
  Zr  Zr7  1  0.364  0.364  0.240  1.0
  Zr  Zr8  1  0.302  0.302  0.568  1.0
  Zr  Zr9  1  0.371  0.371  0.738  1.0
  Zr  Zr10  1  0.962  0.962  0.405  1.0
  Zr  Zr11  1  0.970  0.970  0.904  1.0
  N  N12  1  0.533  0.533  0.176  1.0
  N  N13  1  0.171  0.171  0.019  1.0
  N  N14  1  0.535  0.535  0.670  1.0
  N  N15  1  0.122  0.122  0.355  1.0
  N  N16  1  0.171  0.171  0.515  1.0
  N  N17  1  0.128  0.128  0.856  1.0
  N  N18  1  0.800  0.800  0.314  1.0
  N  N19  1  0.873  0.873  0.137  1.0
  N  N20  1  0.828  0.828  0.486  1.0
  N  N21  1  0.873  0.873  0.644  1.0
  N  N22  1  0.828  0.828  0.979  1.0
  N  N23  1  0.467  0.467  0.828  1.0
  O  O24  1  0.214  0.214  0.191  1.0
  O  O25  1  0.208  0.208  0.690  1.0
  O  O26  1  0.790  0.790  0.808  1.0
  O  O27  1  0.468  0.468  0.330  1.0
  O  O28  1  0.497  0.497  0.494  1.0
  O  O29  1  0.500  0.500  0.000  1.0
[/CIF]
.