The compound described by Zr2ON2 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted rectangular see-saw-like geometry to one N(16), one N(8), one O(3), and one O(4) atom. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to one N(15), one N(5), one N(9), one O(3), and one O(6) atom. In the third Zr site, Zr(3) is bonded in a 4-coordinate geometry to one N(2), one N(3), one N(6), and one N(7) atom. In the fourth Zr site, Zr(4) is bonded in a 7-coordinate geometry to one N(4), one N(8), one O(1), one O(3), one O(5), one O(6), and one O(7) atom. In the fifth Zr site, Zr(5) is bonded in a 4-coordinate geometry to one N(10), one N(8), one O(5), and one O(8) atom. In the sixth Zr site, Zr(6) is bonded in a distorted bent 150 degrees geometry to one N(12), one N(16), one N(5), one N(6), and one N(8) atom. In the seventh Zr site, Zr(7) is bonded in a 1-coordinate geometry to one N(3), one N(9), and one O(3) atom. In the eighth Zr site, Zr(8) is bonded in a distorted bent 150 degrees geometry to one N(13), one O(3), one O(4), and one O(5) atom. In the ninth Zr site, Zr(9) is bonded in a rectangular see-saw-like geometry to one N(12), one O(2), one O(5), and one O(6) atom. In the tenth Zr site, Zr(10) is bonded in a 2-coordinate geometry to one N(13), one N(6), one N(9), and one O(7) atom. In the eleventh Zr site, Zr(11) is bonded in a 1-coordinate geometry to one N(10), one N(16), one N(2), and one O(7) atom. In the twelfth Zr site, Zr(12) is bonded in a 8-coordinate geometry to one N(1), one N(14), one N(15), one N(2), one N(5), one N(7), one O(1), and one O(8) atom. In the thirteenth Zr site, Zr(13) is bonded in a 4-coordinate geometry to one N(12), one N(2), one N(3), and one O(4) atom. In the fourteenth Zr site, Zr(14) is bonded in a 4-coordinate geometry to one N(10), one N(13), one N(5), and one O(8) atom. In the fifteenth Zr site, Zr(15) is bonded in a 7-coordinate geometry to one N(1), one N(11), one N(12), one N(16), one N(9), one O(2), and one O(4) atom. In the sixteenth Zr site, Zr(16) is bonded in a 4-coordinate geometry to one N(14), one N(16), one O(2), and one O(7) atom. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a 1-coordinate geometry to one Zr(12) and one Zr(15) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Zr(11), one Zr(12), one Zr(13), and one Zr(3) atom. In the third N site, N(3) is bonded in a 1-coordinate geometry to one Zr(13), one Zr(3), and one Zr(7) atom. In the fourth N site, N(4) is bonded in a 2-coordinate geometry to one Zr(4) and one O(5) atom. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Zr(12), one Zr(14), one Zr(2), one Zr(6), and one N(15) atom. In the sixth N site, N(6) is bonded in a distorted T-shaped geometry to one Zr(10), one Zr(3), and one Zr(6) atom. In the seventh N site, N(7) is bonded in a 1-coordinate geometry to one Zr(12), one Zr(3), and one N(14) atom. In the eighth N site, N(8) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(4), one Zr(5), and one Zr(6) atom. In the ninth N site, N(9) is bonded in a 4-coordinate geometry to one Zr(10), one Zr(15), one Zr(2), and one Zr(7) atom. In the tenth N site, N(10) is bonded in a 1-coordinate geometry to one Zr(11), one Zr(14), and one Zr(5) atom. In the eleventh N site, N(11) is bonded in a distorted single-bond geometry to one Zr(15) and one N(12) atom. In the twelfth N site, N(12) is bonded in a 5-coordinate geometry to one Zr(13), one Zr(15), one Zr(6), one Zr(9), and one N(11) atom. In the thirteenth N site, N(13) is bonded in a distorted T-shaped geometry to one Zr(10), one Zr(14), and one Zr(8) atom. In the fourteenth N site, N(14) is bonded in a 3-coordinate geometry to one Zr(12), one Zr(16), and one N(7) atom. In the fifteenth N site, N(15) is bonded in a 3-coordinate geometry to one Zr(12), one Zr(2), and one N(5) atom. In the sixteenth N site, N(16) is bonded in a 5-coordinate geometry to one Zr(1), one Zr(11), one Zr(15), one Zr(16), and one Zr(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Zr(12) and one Zr(4) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Zr(15), one Zr(16), and one Zr(9) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Zr(1), one Zr(2), one Zr(4), one Zr(7), and one Zr(8) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Zr(1), one Zr(13), one Zr(15), and one Zr(8) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Zr(4), one Zr(5), one Zr(8), one Zr(9), and one N(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Zr(2), one Zr(4), and one Zr(9) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Zr(10), one Zr(11), one Zr(16), and one Zr(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Zr(12), one Zr(14), and one Zr(5) atom. is represented by the CIF card [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.854
_cell_length_b   8.880
_cell_length_c   8.884
_cell_angle_alpha   109.531
_cell_angle_beta   109.266
_cell_angle_gamma   109.519
_symmetry_Int_Tables_number   1
_cell_volume   538.305
_cell_formula_units_Z   8
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  0.510  0.497  0.501  1.0
  Zr  Zr1  1  0.284  0.831  0.464  1.0
  Zr  Zr2  1  0.972  0.222  0.249  1.0
  Zr  Zr3  1  0.465  0.709  0.250  1.0
  Zr  Zr4  1  0.224  0.177  0.035  1.0
  Zr  Zr5  1  0.682  0.457  0.285  1.0
  Zr  Zr6  1  0.673  0.962  0.785  1.0
  Zr  Zr7  1  0.320  0.537  0.713  1.0
  Zr  Zr8  1  0.000  0.513  0.995  1.0
  Zr  Zr9  1  0.500  0.999  0.000  1.0
  Zr  Zr10  1  0.321  0.046  0.212  1.0
  Zr  Zr11  1  0.018  0.017  0.491  1.0
  Zr  Zr12  1  0.781  0.821  0.969  1.0
  Zr  Zr13  1  0.038  0.783  0.751  1.0
  Zr  Zr14  1  0.528  0.281  0.750  1.0
  Zr  Zr15  1  0.702  0.164  0.542  1.0
  N  N16  1  0.301  0.259  0.734  1.0
  N  N17  1  0.995  0.966  0.272  1.0
  N  N18  1  0.803  0.079  0.968  1.0
  N  N19  1  0.426  0.688  0.040  1.0
  N  N20  1  0.018  0.787  0.470  1.0
  N  N21  1  0.781  0.308  0.230  1.0
  N  N22  1  0.981  0.208  0.533  1.0
  N  N23  1  0.512  0.500  0.228  1.0
  N  N24  1  0.459  0.002  0.768  1.0
  N  N25  1  0.197  0.928  0.031  1.0
  N  N26  1  0.577  0.315  0.956  1.0
  N  N27  1  0.745  0.518  0.015  1.0
  N  N28  1  0.214  0.681  0.774  1.0
  N  N29  1  0.812  0.049  0.457  1.0
  N  N30  1  0.178  0.937  0.548  1.0
  N  N31  1  0.564  0.294  0.485  1.0
  O  O32  1  0.698  0.751  0.264  1.0
  O  O33  1  0.826  0.308  0.726  1.0
  O  O34  1  0.425  0.701  0.518  1.0
  O  O35  1  0.481  0.498  0.776  1.0
  O  O36  1  0.260  0.483  0.981  1.0
  O  O37  1  0.187  0.696  0.271  1.0
  O  O38  1  0.536  0.988  0.237  1.0
  O  O39  1  0.004  0.040  0.725  1.0
[/CIF]
.
The compound described by Zr2ON2 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted rectangular see-saw-like geometry to one N(16), one N(8), one O(3), and one O(4) atom. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to one N(15), one N(5), one N(9), one O(3), and one O(6) atom. In the third Zr site, Zr(3) is bonded in a 4-coordinate geometry to one N(2), one N(3), one N(6), and one N(7) atom. In the fourth Zr site, Zr(4) is bonded in a 7-coordinate geometry to one N(4), one N(8), one O(1), one O(3), one O(5), one O(6), and one O(7) atom. In the fifth Zr site, Zr(5) is bonded in a 4-coordinate geometry to one N(10), one N(8), one O(5), and one O(8) atom. In the sixth Zr site, Zr(6) is bonded in a distorted bent 150 degrees geometry to one N(12), one N(16), one N(5), one N(6), and one N(8) atom. In the seventh Zr site, Zr(7) is bonded in a 1-coordinate geometry to one N(3), one N(9), and one O(3) atom. In the eighth Zr site, Zr(8) is bonded in a distorted bent 150 degrees geometry to one N(13), one O(3), one O(4), and one O(5) atom. In the ninth Zr site, Zr(9) is bonded in a rectangular see-saw-like geometry to one N(12), one O(2), one O(5), and one O(6) atom. In the tenth Zr site, Zr(10) is bonded in a 2-coordinate geometry to one N(13), one N(6), one N(9), and one O(7) atom. In the eleventh Zr site, Zr(11) is bonded in a 1-coordinate geometry to one N(10), one N(16), one N(2), and one O(7) atom. In the twelfth Zr site, Zr(12) is bonded in a 8-coordinate geometry to one N(1), one N(14), one N(15), one N(2), one N(5), one N(7), one O(1), and one O(8) atom. In the thirteenth Zr site, Zr(13) is bonded in a 4-coordinate geometry to one N(12), one N(2), one N(3), and one O(4) atom. In the fourteenth Zr site, Zr(14) is bonded in a 4-coordinate geometry to one N(10), one N(13), one N(5), and one O(8) atom. In the fifteenth Zr site, Zr(15) is bonded in a 7-coordinate geometry to one N(1), one N(11), one N(12), one N(16), one N(9), one O(2), and one O(4) atom. In the sixteenth Zr site, Zr(16) is bonded in a 4-coordinate geometry to one N(14), one N(16), one O(2), and one O(7) atom. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a 1-coordinate geometry to one Zr(12) and one Zr(15) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Zr(11), one Zr(12), one Zr(13), and one Zr(3) atom. In the third N site, N(3) is bonded in a 1-coordinate geometry to one Zr(13), one Zr(3), and one Zr(7) atom. In the fourth N site, N(4) is bonded in a 2-coordinate geometry to one Zr(4) and one O(5) atom. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Zr(12), one Zr(14), one Zr(2), one Zr(6), and one N(15) atom. In the sixth N site, N(6) is bonded in a distorted T-shaped geometry to one Zr(10), one Zr(3), and one Zr(6) atom. In the seventh N site, N(7) is bonded in a 1-coordinate geometry to one Zr(12), one Zr(3), and one N(14) atom. In the eighth N site, N(8) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(4), one Zr(5), and one Zr(6) atom. In the ninth N site, N(9) is bonded in a 4-coordinate geometry to one Zr(10), one Zr(15), one Zr(2), and one Zr(7) atom. In the tenth N site, N(10) is bonded in a 1-coordinate geometry to one Zr(11), one Zr(14), and one Zr(5) atom. In the eleventh N site, N(11) is bonded in a distorted single-bond geometry to one Zr(15) and one N(12) atom. In the twelfth N site, N(12) is bonded in a 5-coordinate geometry to one Zr(13), one Zr(15), one Zr(6), one Zr(9), and one N(11) atom. In the thirteenth N site, N(13) is bonded in a distorted T-shaped geometry to one Zr(10), one Zr(14), and one Zr(8) atom. In the fourteenth N site, N(14) is bonded in a 3-coordinate geometry to one Zr(12), one Zr(16), and one N(7) atom. In the fifteenth N site, N(15) is bonded in a 3-coordinate geometry to one Zr(12), one Zr(2), and one N(5) atom. In the sixteenth N site, N(16) is bonded in a 5-coordinate geometry to one Zr(1), one Zr(11), one Zr(15), one Zr(16), and one Zr(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Zr(12) and one Zr(4) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Zr(15), one Zr(16), and one Zr(9) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Zr(1), one Zr(2), one Zr(4), one Zr(7), and one Zr(8) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Zr(1), one Zr(13), one Zr(15), and one Zr(8) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Zr(4), one Zr(5), one Zr(8), one Zr(9), and one N(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Zr(2), one Zr(4), and one Zr(9) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Zr(10), one Zr(11), one Zr(16), and one Zr(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Zr(12), one Zr(14), and one Zr(5) atom. is represented by the CIF card [CIF]
data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.854
_cell_length_b   8.880
_cell_length_c   8.884
_cell_angle_alpha   109.531
_cell_angle_beta   109.266
_cell_angle_gamma   109.519
_symmetry_Int_Tables_number   1
_cell_volume   538.305
_cell_formula_units_Z   8
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  0.510  0.497  0.501  1.0
  Zr  Zr1  1  0.284  0.831  0.464  1.0
  Zr  Zr2  1  0.972  0.222  0.249  1.0
  Zr  Zr3  1  0.465  0.709  0.250  1.0
  Zr  Zr4  1  0.224  0.177  0.035  1.0
  Zr  Zr5  1  0.682  0.457  0.285  1.0
  Zr  Zr6  1  0.673  0.962  0.785  1.0
  Zr  Zr7  1  0.320  0.537  0.713  1.0
  Zr  Zr8  1  0.000  0.513  0.995  1.0
  Zr  Zr9  1  0.500  0.999  0.000  1.0
  Zr  Zr10  1  0.321  0.046  0.212  1.0
  Zr  Zr11  1  0.018  0.017  0.491  1.0
  Zr  Zr12  1  0.781  0.821  0.969  1.0
  Zr  Zr13  1  0.038  0.783  0.751  1.0
  Zr  Zr14  1  0.528  0.281  0.750  1.0
  Zr  Zr15  1  0.702  0.164  0.542  1.0
  N  N16  1  0.301  0.259  0.734  1.0
  N  N17  1  0.995  0.966  0.272  1.0
  N  N18  1  0.803  0.079  0.968  1.0
  N  N19  1  0.426  0.688  0.040  1.0
  N  N20  1  0.018  0.787  0.470  1.0
  N  N21  1  0.781  0.308  0.230  1.0
  N  N22  1  0.981  0.208  0.533  1.0
  N  N23  1  0.512  0.500  0.228  1.0
  N  N24  1  0.459  0.002  0.768  1.0
  N  N25  1  0.197  0.928  0.031  1.0
  N  N26  1  0.577  0.315  0.956  1.0
  N  N27  1  0.745  0.518  0.015  1.0
  N  N28  1  0.214  0.681  0.774  1.0
  N  N29  1  0.812  0.049  0.457  1.0
  N  N30  1  0.178  0.937  0.548  1.0
  N  N31  1  0.564  0.294  0.485  1.0
  O  O32  1  0.698  0.751  0.264  1.0
  O  O33  1  0.826  0.308  0.726  1.0
  O  O34  1  0.425  0.701  0.518  1.0
  O  O35  1  0.481  0.498  0.776  1.0
  O  O36  1  0.260  0.483  0.981  1.0
  O  O37  1  0.187  0.696  0.271  1.0
  O  O38  1  0.536  0.988  0.237  1.0
  O  O39  1  0.004  0.040  0.725  1.0
[/CIF]
.