The structure described by Zr3N2O3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form distorted ZrN2O4 octahedra that share corners with two equivalent Zr(1)N2O4 octahedra, corners with two equivalent Zr(2)N3O3 octahedra, and edges with six equivalent Zr(2)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 25-36°. In the second Zr site, Zr(2) is bonded to three equivalent N(1), one O(1), and two equivalent O(2) atoms to form distorted ZrN3O3 octahedra that share  a cornercorner with one Zr(1)N2O4 octahedra, corners with three equivalent Zr(2)N3O3 octahedra, edges with three equivalent Zr(1)N2O4 octahedra, and edges with three equivalent Zr(2)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 25-57°. N(1) is bonded to one Zr(1) and three equivalent Zr(2) atoms to form a mixture of edge and corner-sharing NZr4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Zr(1) and two equivalent Zr(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Zr(1) and two equivalent Zr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3N2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.048
_cell_length_b   5.697
_cell_length_c   10.651
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.810
_symmetry_Int_Tables_number   1
_cell_volume   229.582
_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  0.191  0.381  0.250  1.0
  Zr  Zr1  1  0.143  0.287  0.942  1.0
  Zr  Zr2  1  0.143  0.287  0.558  1.0
  Zr  Zr3  1  0.809  0.619  0.750  1.0
  Zr  Zr4  1  0.857  0.713  0.058  1.0
  Zr  Zr5  1  0.857  0.713  0.442  1.0
  N  N6  1  0.299  0.597  0.421  1.0
  N  N7  1  0.299  0.597  0.079  1.0
  N  N8  1  0.701  0.403  0.579  1.0
  N  N9  1  0.701  0.403  0.921  1.0
  O  O10  1  0.247  0.494  0.750  1.0
  O  O11  1  0.043  0.087  0.116  1.0
  O  O12  1  0.043  0.087  0.384  1.0
  O  O13  1  0.753  0.506  0.250  1.0
  O  O14  1  0.957  0.913  0.884  1.0
  O  O15  1  0.957  0.913  0.616  1.0
[/CIF]
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The structure described by Zr3N2O3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form distorted ZrN2O4 octahedra that share corners with two equivalent Zr(1)N2O4 octahedra, corners with two equivalent Zr(2)N3O3 octahedra, and edges with six equivalent Zr(2)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 25-36°. In the second Zr site, Zr(2) is bonded to three equivalent N(1), one O(1), and two equivalent O(2) atoms to form distorted ZrN3O3 octahedra that share  a cornercorner with one Zr(1)N2O4 octahedra, corners with three equivalent Zr(2)N3O3 octahedra, edges with three equivalent Zr(1)N2O4 octahedra, and edges with three equivalent Zr(2)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 25-57°. N(1) is bonded to one Zr(1) and three equivalent Zr(2) atoms to form a mixture of edge and corner-sharing NZr4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Zr(1) and two equivalent Zr(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Zr(1) and two equivalent Zr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3N2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.048
_cell_length_b   5.697
_cell_length_c   10.651
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.810
_symmetry_Int_Tables_number   1
_cell_volume   229.582
_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  0.191  0.381  0.250  1.0
  Zr  Zr1  1  0.143  0.287  0.942  1.0
  Zr  Zr2  1  0.143  0.287  0.558  1.0
  Zr  Zr3  1  0.809  0.619  0.750  1.0
  Zr  Zr4  1  0.857  0.713  0.058  1.0
  Zr  Zr5  1  0.857  0.713  0.442  1.0
  N  N6  1  0.299  0.597  0.421  1.0
  N  N7  1  0.299  0.597  0.079  1.0
  N  N8  1  0.701  0.403  0.579  1.0
  N  N9  1  0.701  0.403  0.921  1.0
  O  O10  1  0.247  0.494  0.750  1.0
  O  O11  1  0.043  0.087  0.116  1.0
  O  O12  1  0.043  0.087  0.384  1.0
  O  O13  1  0.753  0.506  0.250  1.0
  O  O14  1  0.957  0.913  0.884  1.0
  O  O15  1  0.957  0.913  0.616  1.0
[/CIF]
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