The material described by Zr2ON2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to two equivalent N(1), three equivalent N(2), and three equivalent O(1) atoms. In the second Zr site, Zr(2) is bonded to two equivalent N(2), three equivalent N(1), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing ZrN5O2 pentagonal bipyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Zr(1) and three equivalent Zr(2) atoms to form a mixture of corner and edge-sharing NZr5 square pyramids. In the second N site, N(2) is bonded to two equivalent Zr(2) and three equivalent Zr(1) atoms to form a mixture of corner and edge-sharing NZr5 square pyramids. O(1) is bonded in a 5-coordinate geometry to two equivalent Zr(2) and three equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.152
_cell_length_b   8.555
_cell_length_c   8.605
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   232.030
_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  0.250  0.001  0.182  1.0
  Zr  Zr1  1  0.750  0.179  0.495  1.0
  Zr  Zr2  1  0.750  0.321  0.995  1.0
  Zr  Zr3  1  0.250  0.499  0.682  1.0
  Zr  Zr4  1  0.750  0.501  0.318  1.0
  Zr  Zr5  1  0.250  0.679  0.005  1.0
  Zr  Zr6  1  0.250  0.821  0.505  1.0
  Zr  Zr7  1  0.750  0.999  0.818  1.0
  N  N8  1  0.250  0.056  0.624  1.0
  N  N9  1  0.250  0.133  0.952  1.0
  N  N10  1  0.250  0.367  0.452  1.0
  N  N11  1  0.250  0.444  0.124  1.0
  N  N12  1  0.750  0.556  0.876  1.0
  N  N13  1  0.750  0.633  0.548  1.0
  N  N14  1  0.750  0.867  0.048  1.0
  N  N15  1  0.750  0.944  0.376  1.0
  O  O16  1  0.750  0.190  0.226  1.0
  O  O17  1  0.750  0.310  0.726  1.0
  O  O18  1  0.250  0.690  0.274  1.0
  O  O19  1  0.250  0.810  0.774  1.0
[/CIF]
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The material described by Zr2ON2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to two equivalent N(1), three equivalent N(2), and three equivalent O(1) atoms. In the second Zr site, Zr(2) is bonded to two equivalent N(2), three equivalent N(1), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing ZrN5O2 pentagonal bipyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Zr(1) and three equivalent Zr(2) atoms to form a mixture of corner and edge-sharing NZr5 square pyramids. In the second N site, N(2) is bonded to two equivalent Zr(2) and three equivalent Zr(1) atoms to form a mixture of corner and edge-sharing NZr5 square pyramids. O(1) is bonded in a 5-coordinate geometry to two equivalent Zr(2) and three equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.152
_cell_length_b   8.555
_cell_length_c   8.605
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   232.030
_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  0.250  0.001  0.182  1.0
  Zr  Zr1  1  0.750  0.179  0.495  1.0
  Zr  Zr2  1  0.750  0.321  0.995  1.0
  Zr  Zr3  1  0.250  0.499  0.682  1.0
  Zr  Zr4  1  0.750  0.501  0.318  1.0
  Zr  Zr5  1  0.250  0.679  0.005  1.0
  Zr  Zr6  1  0.250  0.821  0.505  1.0
  Zr  Zr7  1  0.750  0.999  0.818  1.0
  N  N8  1  0.250  0.056  0.624  1.0
  N  N9  1  0.250  0.133  0.952  1.0
  N  N10  1  0.250  0.367  0.452  1.0
  N  N11  1  0.250  0.444  0.124  1.0
  N  N12  1  0.750  0.556  0.876  1.0
  N  N13  1  0.750  0.633  0.548  1.0
  N  N14  1  0.750  0.867  0.048  1.0
  N  N15  1  0.750  0.944  0.376  1.0
  O  O16  1  0.750  0.190  0.226  1.0
  O  O17  1  0.750  0.310  0.726  1.0
  O  O18  1  0.250  0.690  0.274  1.0
  O  O19  1  0.250  0.810  0.774  1.0
[/CIF]
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