The material described by (NO)2Se3O10 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight nitroxyl molecules and four Se3O10 clusters. In each Se3O10 cluster, there are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing SeO4 tetrahedra. In the second Se site, Se(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing SeO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(4) is bonded in a single-bond geometry to one Se(2) atom. In the second O site, O(5) is bonded in a single-bond geometry to one Se(2) atom. In the third O site, O(1) is bonded in a single-bond geometry to one Se(1) atom. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one Se(1) and one Se(2) atom. In the fifth O site, O(3) is bonded in a single-bond geometry to one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Se3(NO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.570
_cell_length_b   8.064
_cell_length_c   11.802
_cell_angle_alpha   72.948
_cell_angle_beta   73.840
_cell_angle_gamma   65.961
_symmetry_Int_Tables_number   1
_cell_volume   536.774
_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
  Se  Se0  1  0.812  0.750  0.250  1.0
  Se  Se1  1  0.188  0.250  0.750  1.0
  Se  Se2  1  0.987  0.794  0.465  1.0
  Se  Se3  1  0.246  0.706  0.035  1.0
  Se  Se4  1  0.013  0.206  0.535  1.0
  Se  Se5  1  0.754  0.294  0.965  1.0
  N  N6  1  0.202  0.258  0.098  1.0
  N  N7  1  0.558  0.242  0.402  1.0
  N  N8  1  0.798  0.742  0.902  1.0
  N  N9  1  0.442  0.758  0.598  1.0
  O  O10  1  0.799  0.578  0.211  1.0
  O  O11  1  0.588  0.922  0.289  1.0
  O  O12  1  0.201  0.422  0.789  1.0
  O  O13  1  0.412  0.078  0.711  1.0
  O  O14  1  0.976  0.649  0.368  1.0
  O  O15  1  0.992  0.851  0.132  1.0
  O  O16  1  0.024  0.351  0.632  1.0
  O  O17  1  0.008  0.149  0.868  1.0
  O  O18  1  0.250  0.675  0.485  1.0
  O  O19  1  0.410  0.825  0.015  1.0
  O  O20  1  0.750  0.325  0.515  1.0
  O  O21  1  0.590  0.175  0.985  1.0
  O  O22  1  0.935  0.005  0.379  1.0
  O  O23  1  0.319  0.495  0.121  1.0
  O  O24  1  0.065  0.995  0.621  1.0
  O  O25  1  0.681  0.505  0.879  1.0
  O  O26  1  0.789  0.774  0.585  1.0
  O  O27  1  0.148  0.726  0.915  1.0
  O  O28  1  0.211  0.226  0.415  1.0
  O  O29  1  0.852  0.274  0.085  1.0
  O  O30  1  0.224  0.149  0.182  1.0
  O  O31  1  0.555  0.351  0.318  1.0
  O  O32  1  0.776  0.851  0.818  1.0
  O  O33  1  0.445  0.649  0.682  1.0
[/CIF]
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The material described by (NO)2Se3O10 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight nitroxyl molecules and four Se3O10 clusters. In each Se3O10 cluster, there are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing SeO4 tetrahedra. In the second Se site, Se(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing SeO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(4) is bonded in a single-bond geometry to one Se(2) atom. In the second O site, O(5) is bonded in a single-bond geometry to one Se(2) atom. In the third O site, O(1) is bonded in a single-bond geometry to one Se(1) atom. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one Se(1) and one Se(2) atom. In the fifth O site, O(3) is bonded in a single-bond geometry to one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Se3(NO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.570
_cell_length_b   8.064
_cell_length_c   11.802
_cell_angle_alpha   72.948
_cell_angle_beta   73.840
_cell_angle_gamma   65.961
_symmetry_Int_Tables_number   1
_cell_volume   536.774
_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
  Se  Se0  1  0.812  0.750  0.250  1.0
  Se  Se1  1  0.188  0.250  0.750  1.0
  Se  Se2  1  0.987  0.794  0.465  1.0
  Se  Se3  1  0.246  0.706  0.035  1.0
  Se  Se4  1  0.013  0.206  0.535  1.0
  Se  Se5  1  0.754  0.294  0.965  1.0
  N  N6  1  0.202  0.258  0.098  1.0
  N  N7  1  0.558  0.242  0.402  1.0
  N  N8  1  0.798  0.742  0.902  1.0
  N  N9  1  0.442  0.758  0.598  1.0
  O  O10  1  0.799  0.578  0.211  1.0
  O  O11  1  0.588  0.922  0.289  1.0
  O  O12  1  0.201  0.422  0.789  1.0
  O  O13  1  0.412  0.078  0.711  1.0
  O  O14  1  0.976  0.649  0.368  1.0
  O  O15  1  0.992  0.851  0.132  1.0
  O  O16  1  0.024  0.351  0.632  1.0
  O  O17  1  0.008  0.149  0.868  1.0
  O  O18  1  0.250  0.675  0.485  1.0
  O  O19  1  0.410  0.825  0.015  1.0
  O  O20  1  0.750  0.325  0.515  1.0
  O  O21  1  0.590  0.175  0.985  1.0
  O  O22  1  0.935  0.005  0.379  1.0
  O  O23  1  0.319  0.495  0.121  1.0
  O  O24  1  0.065  0.995  0.621  1.0
  O  O25  1  0.681  0.505  0.879  1.0
  O  O26  1  0.789  0.774  0.585  1.0
  O  O27  1  0.148  0.726  0.915  1.0
  O  O28  1  0.211  0.226  0.415  1.0
  O  O29  1  0.852  0.274  0.085  1.0
  O  O30  1  0.224  0.149  0.182  1.0
  O  O31  1  0.555  0.351  0.318  1.0
  O  O32  1  0.776  0.851  0.818  1.0
  O  O33  1  0.445  0.649  0.682  1.0
[/CIF]
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