The structure described by Zr3N2O3 crystallizes in the monoclinic Cm space group. There are six inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(1), one N(3), one O(2), one O(3), and two equivalent O(5) atoms to form distorted ZrN2O4 octahedra that share  a cornercorner with one Zr(4)N3O3 octahedra,  a cornercorner with one Zr(2)N4O2 octahedra, corners with two equivalent Zr(1)N2O4 octahedra,  an edgeedge with one Zr(3)N2O4 octahedra, edges with two equivalent Zr(4)N3O3 octahedra, and edges with three equivalent Zr(6)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 30-53°. In the second Zr site, Zr(2) is bonded to one N(2), one N(3), two equivalent N(4), one O(1), and one O(4) atom to form distorted ZrN4O2 octahedra that share  a cornercorner with one Zr(1)N2O4 octahedra,  a cornercorner with one Zr(4)N3O3 octahedra, corners with two equivalent Zr(2)N4O2 octahedra,  an edgeedge with one Zr(3)N2O4 octahedra, edges with two equivalent Zr(4)N3O3 octahedra, and edges with three equivalent Zr(5)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 26-53°. In the third Zr site, Zr(3) is bonded to one N(1), one N(2), one O(1), one O(2), and two equivalent O(6) atoms to form distorted ZrN2O4 octahedra that share  a cornercorner with one Zr(6)N2O4 octahedra,  a cornercorner with one Zr(5)N3O3 octahedra, corners with two equivalent Zr(3)N2O4 octahedra,  an edgeedge with one Zr(1)N2O4 octahedra,  an edgeedge with one Zr(2)N4O2 octahedra, edges with two equivalent Zr(6)N2O4 octahedra, and edges with two equivalent Zr(5)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 25-37°. In the fourth Zr site, Zr(4) is bonded to one N(4), two equivalent N(3), one O(3), one O(4), and one O(5) atom to form distorted ZrN3O3 octahedra that share  a cornercorner with one Zr(1)N2O4 octahedra,  a cornercorner with one Zr(2)N4O2 octahedra, corners with two equivalent Zr(4)N3O3 octahedra,  an edgeedge with one Zr(6)N2O4 octahedra,  an edgeedge with one Zr(5)N3O3 octahedra, edges with two equivalent Zr(1)N2O4 octahedra, and edges with two equivalent Zr(2)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 26-42°. In the fifth Zr site, Zr(5) is bonded to one N(4), two equivalent N(2), one O(1), one O(4), and one O(6) atom to form distorted ZrN3O3 octahedra that share  a cornercorner with one Zr(3)N2O4 octahedra,  a cornercorner with one Zr(6)N2O4 octahedra, corners with two equivalent Zr(5)N3O3 octahedra,  an edgeedge with one Zr(4)N3O3 octahedra, edges with two equivalent Zr(3)N2O4 octahedra, and edges with three equivalent Zr(2)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 26-58°. In the sixth Zr site, Zr(6) is bonded to two equivalent N(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted ZrN2O4 octahedra that share  a cornercorner with one Zr(3)N2O4 octahedra,  a cornercorner with one Zr(5)N3O3 octahedra, corners with two equivalent Zr(6)N2O4 octahedra,  an edgeedge with one Zr(4)N3O3 octahedra, edges with two equivalent Zr(3)N2O4 octahedra, and edges with three equivalent Zr(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 25-58°. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Zr(1), one Zr(3), and two equivalent Zr(6) atoms to form NZr4 tetrahedra that share corners with two equivalent N(1)Zr4 tetrahedra,  a cornercorner with one N(2)Zr4 trigonal pyramid,  a cornercorner with one N(3)Zr4 trigonal pyramid, edges with two equivalent O(6)Zr4 tetrahedra, and edges with two equivalent O(5)Zr4 trigonal pyramids. In the second N site, N(2) is bonded to one Zr(2), one Zr(3), and two equivalent Zr(5) atoms to form NZr4 trigonal pyramids that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 trigonal pyramid, corners with two equivalent N(2)Zr4 trigonal pyramids, edges with two equivalent O(6)Zr4 tetrahedra, and edges with two equivalent N(4)Zr4 trigonal pyramids. In the third N site, N(3) is bonded to one Zr(1), one Zr(2), and two equivalent Zr(4) atoms to form distorted NZr4 trigonal pyramids that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(2)Zr4 trigonal pyramid, corners with two equivalent N(3)Zr4 trigonal pyramids, edges with two equivalent N(4)Zr4 trigonal pyramids, and edges with two equivalent O(5)Zr4 trigonal pyramids. In the fourth N site, N(4) is bonded to one Zr(4), one Zr(5), and two equivalent Zr(2) atoms to form distorted NZr4 trigonal pyramids that share  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 trigonal pyramid, corners with two equivalent N(4)Zr4 trigonal pyramids, edges with two equivalent N(2)Zr4 trigonal pyramids, and edges with two equivalent N(3)Zr4 trigonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Zr(2), one Zr(3), and one Zr(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Zr(1), one Zr(3), and one Zr(6) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Zr(1), one Zr(4), and one Zr(6) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Zr(2), one Zr(4), and one Zr(5) atom. In the fifth O site, O(5) is bonded to one Zr(4), one Zr(6), and two equivalent Zr(1) atoms to form distorted OZr4 trigonal pyramids that share  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 trigonal pyramid, corners with two equivalent O(5)Zr4 trigonal pyramids, edges with two equivalent N(1)Zr4 tetrahedra, and edges with two equivalent N(3)Zr4 trigonal pyramids. In the sixth O site, O(6) is bonded to one Zr(5), one Zr(6), and two equivalent Zr(3) atoms to form distorted OZr4 tetrahedra that share corners with two equivalent O(6)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 trigonal pyramid,  a cornercorner with one O(5)Zr4 trigonal pyramid, edges with two equivalent N(1)Zr4 tetrahedra, and edges with two equivalent N(2)Zr4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3N2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.053
_cell_length_b   5.676
_cell_length_c   10.660
_cell_angle_alpha   90.362
_cell_angle_beta   90.000
_cell_angle_gamma   110.918
_symmetry_Int_Tables_number   1
_cell_volume   229.069
_cell_formula_units_Z   2
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  0.144  0.289  0.566  1.0
  Zr  Zr1  1  0.147  0.293  0.937  1.0
  Zr  Zr2  1  0.192  0.383  0.248  1.0
  Zr  Zr3  1  0.809  0.618  0.756  1.0
  Zr  Zr4  1  0.859  0.718  0.060  1.0
  Zr  Zr5  1  0.862  0.723  0.437  1.0
  N  N6  1  0.297  0.595  0.427  1.0
  N  N7  1  0.302  0.604  0.082  1.0
  N  N8  1  0.237  0.475  0.744  1.0
  N  N9  1  0.704  0.408  0.925  1.0
  O  O10  1  0.046  0.092  0.116  1.0
  O  O11  1  0.042  0.084  0.381  1.0
  O  O12  1  0.954  0.907  0.612  1.0
  O  O13  1  0.956  0.913  0.885  1.0
  O  O14  1  0.695  0.390  0.572  1.0
  O  O15  1  0.755  0.510  0.252  1.0
[/CIF]
.
The structure described by Zr3N2O3 crystallizes in the monoclinic Cm space group. There are six inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(1), one N(3), one O(2), one O(3), and two equivalent O(5) atoms to form distorted ZrN2O4 octahedra that share  a cornercorner with one Zr(4)N3O3 octahedra,  a cornercorner with one Zr(2)N4O2 octahedra, corners with two equivalent Zr(1)N2O4 octahedra,  an edgeedge with one Zr(3)N2O4 octahedra, edges with two equivalent Zr(4)N3O3 octahedra, and edges with three equivalent Zr(6)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 30-53°. In the second Zr site, Zr(2) is bonded to one N(2), one N(3), two equivalent N(4), one O(1), and one O(4) atom to form distorted ZrN4O2 octahedra that share  a cornercorner with one Zr(1)N2O4 octahedra,  a cornercorner with one Zr(4)N3O3 octahedra, corners with two equivalent Zr(2)N4O2 octahedra,  an edgeedge with one Zr(3)N2O4 octahedra, edges with two equivalent Zr(4)N3O3 octahedra, and edges with three equivalent Zr(5)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 26-53°. In the third Zr site, Zr(3) is bonded to one N(1), one N(2), one O(1), one O(2), and two equivalent O(6) atoms to form distorted ZrN2O4 octahedra that share  a cornercorner with one Zr(6)N2O4 octahedra,  a cornercorner with one Zr(5)N3O3 octahedra, corners with two equivalent Zr(3)N2O4 octahedra,  an edgeedge with one Zr(1)N2O4 octahedra,  an edgeedge with one Zr(2)N4O2 octahedra, edges with two equivalent Zr(6)N2O4 octahedra, and edges with two equivalent Zr(5)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 25-37°. In the fourth Zr site, Zr(4) is bonded to one N(4), two equivalent N(3), one O(3), one O(4), and one O(5) atom to form distorted ZrN3O3 octahedra that share  a cornercorner with one Zr(1)N2O4 octahedra,  a cornercorner with one Zr(2)N4O2 octahedra, corners with two equivalent Zr(4)N3O3 octahedra,  an edgeedge with one Zr(6)N2O4 octahedra,  an edgeedge with one Zr(5)N3O3 octahedra, edges with two equivalent Zr(1)N2O4 octahedra, and edges with two equivalent Zr(2)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 26-42°. In the fifth Zr site, Zr(5) is bonded to one N(4), two equivalent N(2), one O(1), one O(4), and one O(6) atom to form distorted ZrN3O3 octahedra that share  a cornercorner with one Zr(3)N2O4 octahedra,  a cornercorner with one Zr(6)N2O4 octahedra, corners with two equivalent Zr(5)N3O3 octahedra,  an edgeedge with one Zr(4)N3O3 octahedra, edges with two equivalent Zr(3)N2O4 octahedra, and edges with three equivalent Zr(2)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 26-58°. In the sixth Zr site, Zr(6) is bonded to two equivalent N(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted ZrN2O4 octahedra that share  a cornercorner with one Zr(3)N2O4 octahedra,  a cornercorner with one Zr(5)N3O3 octahedra, corners with two equivalent Zr(6)N2O4 octahedra,  an edgeedge with one Zr(4)N3O3 octahedra, edges with two equivalent Zr(3)N2O4 octahedra, and edges with three equivalent Zr(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 25-58°. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Zr(1), one Zr(3), and two equivalent Zr(6) atoms to form NZr4 tetrahedra that share corners with two equivalent N(1)Zr4 tetrahedra,  a cornercorner with one N(2)Zr4 trigonal pyramid,  a cornercorner with one N(3)Zr4 trigonal pyramid, edges with two equivalent O(6)Zr4 tetrahedra, and edges with two equivalent O(5)Zr4 trigonal pyramids. In the second N site, N(2) is bonded to one Zr(2), one Zr(3), and two equivalent Zr(5) atoms to form NZr4 trigonal pyramids that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 trigonal pyramid, corners with two equivalent N(2)Zr4 trigonal pyramids, edges with two equivalent O(6)Zr4 tetrahedra, and edges with two equivalent N(4)Zr4 trigonal pyramids. In the third N site, N(3) is bonded to one Zr(1), one Zr(2), and two equivalent Zr(4) atoms to form distorted NZr4 trigonal pyramids that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(2)Zr4 trigonal pyramid, corners with two equivalent N(3)Zr4 trigonal pyramids, edges with two equivalent N(4)Zr4 trigonal pyramids, and edges with two equivalent O(5)Zr4 trigonal pyramids. In the fourth N site, N(4) is bonded to one Zr(4), one Zr(5), and two equivalent Zr(2) atoms to form distorted NZr4 trigonal pyramids that share  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 trigonal pyramid, corners with two equivalent N(4)Zr4 trigonal pyramids, edges with two equivalent N(2)Zr4 trigonal pyramids, and edges with two equivalent N(3)Zr4 trigonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Zr(2), one Zr(3), and one Zr(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Zr(1), one Zr(3), and one Zr(6) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Zr(1), one Zr(4), and one Zr(6) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Zr(2), one Zr(4), and one Zr(5) atom. In the fifth O site, O(5) is bonded to one Zr(4), one Zr(6), and two equivalent Zr(1) atoms to form distorted OZr4 trigonal pyramids that share  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 trigonal pyramid, corners with two equivalent O(5)Zr4 trigonal pyramids, edges with two equivalent N(1)Zr4 tetrahedra, and edges with two equivalent N(3)Zr4 trigonal pyramids. In the sixth O site, O(6) is bonded to one Zr(5), one Zr(6), and two equivalent Zr(3) atoms to form distorted OZr4 tetrahedra that share corners with two equivalent O(6)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 trigonal pyramid,  a cornercorner with one O(5)Zr4 trigonal pyramid, edges with two equivalent N(1)Zr4 tetrahedra, and edges with two equivalent N(2)Zr4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3N2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.053
_cell_length_b   5.676
_cell_length_c   10.660
_cell_angle_alpha   90.362
_cell_angle_beta   90.000
_cell_angle_gamma   110.918
_symmetry_Int_Tables_number   1
_cell_volume   229.069
_cell_formula_units_Z   2
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  0.144  0.289  0.566  1.0
  Zr  Zr1  1  0.147  0.293  0.937  1.0
  Zr  Zr2  1  0.192  0.383  0.248  1.0
  Zr  Zr3  1  0.809  0.618  0.756  1.0
  Zr  Zr4  1  0.859  0.718  0.060  1.0
  Zr  Zr5  1  0.862  0.723  0.437  1.0
  N  N6  1  0.297  0.595  0.427  1.0
  N  N7  1  0.302  0.604  0.082  1.0
  N  N8  1  0.237  0.475  0.744  1.0
  N  N9  1  0.704  0.408  0.925  1.0
  O  O10  1  0.046  0.092  0.116  1.0
  O  O11  1  0.042  0.084  0.381  1.0
  O  O12  1  0.954  0.907  0.612  1.0
  O  O13  1  0.956  0.913  0.885  1.0
  O  O14  1  0.695  0.390  0.572  1.0
  O  O15  1  0.755  0.510  0.252  1.0
[/CIF]
.