The material structure described by (NO)2Te3(H2O5)2 crystallizes in the orthorhombic Fdd2 space group. The structure consists of sixteen nitroxyl molecules inside a Te3(H2O5)2 framework. In the Te3(H2O5)2 framework, there are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(4) and one O(5) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Te site, Te(2) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Te(1) and one Te(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one H(1) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Te(1) and one Te(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one H(1), one H(2), and one Te(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one H(2) and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Te3H4(NO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.813
_cell_length_b   10.738
_cell_length_c   9.897
_cell_angle_alpha   83.935
_cell_angle_beta   50.627
_cell_angle_gamma   45.438
_symmetry_Int_Tables_number   1
_cell_volume   636.685
_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
  Te  Te0  1  0.611  0.518  0.488  1.0
  Te  Te1  1  0.383  0.488  0.518  1.0
  Te  Te2  1  0.732  0.639  0.867  1.0
  Te  Te3  1  0.762  0.867  0.639  1.0
  Te  Te4  1  0.000  1.000  1.000  1.0
  Te  Te5  1  0.250  0.250  0.250  1.0
  H  H6  1  0.649  0.576  0.743  1.0
  H  H7  1  0.032  0.743  0.576  1.0
  H  H8  1  0.674  0.601  0.218  1.0
  H  H9  1  0.507  0.218  0.601  1.0
  H  H10  1  0.982  0.345  0.333  1.0
  H  H11  1  0.339  0.333  0.345  1.0
  H  H12  1  0.905  0.268  0.911  1.0
  H  H13  1  0.917  0.911  0.268  1.0
  N  N14  1  0.033  0.052  0.501  1.0
  N  N15  1  0.414  0.501  0.052  1.0
  N  N16  1  0.198  0.217  0.836  1.0
  N  N17  1  0.749  0.836  0.217  1.0
  O  O18  1  0.432  0.951  0.161  1.0
  O  O19  1  0.455  0.161  0.951  1.0
  O  O20  1  0.299  0.818  0.795  1.0
  O  O21  1  0.089  0.795  0.818  1.0
  O  O22  1  0.360  0.365  0.669  1.0
  O  O23  1  0.606  0.669  0.365  1.0
  O  O24  1  0.885  0.890  0.644  1.0
  O  O25  1  0.581  0.644  0.890  1.0
  O  O26  1  0.905  0.221  0.171  1.0
  O  O27  1  0.703  0.171  0.221  1.0
  O  O28  1  0.029  0.345  0.547  1.0
  O  O29  1  0.079  0.547  0.345  1.0
  O  O30  1  0.746  0.467  0.529  1.0
  O  O31  1  0.258  0.529  0.467  1.0
  O  O32  1  0.783  0.504  0.992  1.0
  O  O33  1  0.721  0.992  0.504  1.0
  O  O34  1  0.124  0.278  0.199  1.0
  O  O35  1  0.400  0.199  0.278  1.0
  O  O36  1  0.972  0.126  0.850  1.0
  O  O37  1  0.051  0.850  0.126  1.0
  O  O38  1  0.135  0.347  0.945  1.0
  O  O39  1  0.574  0.945  0.347  1.0
  O  O40  1  0.903  0.115  0.676  1.0
  O  O41  1  0.305  0.676  0.115  1.0
[/CIF]
.
The material structure described by (NO)2Te3(H2O5)2 crystallizes in the orthorhombic Fdd2 space group. The structure consists of sixteen nitroxyl molecules inside a Te3(H2O5)2 framework. In the Te3(H2O5)2 framework, there are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(4) and one O(5) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Te site, Te(2) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Te(1) and one Te(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one H(1) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Te(1) and one Te(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one H(1), one H(2), and one Te(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one H(2) and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Te3H4(NO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.813
_cell_length_b   10.738
_cell_length_c   9.897
_cell_angle_alpha   83.935
_cell_angle_beta   50.627
_cell_angle_gamma   45.438
_symmetry_Int_Tables_number   1
_cell_volume   636.685
_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
  Te  Te0  1  0.611  0.518  0.488  1.0
  Te  Te1  1  0.383  0.488  0.518  1.0
  Te  Te2  1  0.732  0.639  0.867  1.0
  Te  Te3  1  0.762  0.867  0.639  1.0
  Te  Te4  1  0.000  1.000  1.000  1.0
  Te  Te5  1  0.250  0.250  0.250  1.0
  H  H6  1  0.649  0.576  0.743  1.0
  H  H7  1  0.032  0.743  0.576  1.0
  H  H8  1  0.674  0.601  0.218  1.0
  H  H9  1  0.507  0.218  0.601  1.0
  H  H10  1  0.982  0.345  0.333  1.0
  H  H11  1  0.339  0.333  0.345  1.0
  H  H12  1  0.905  0.268  0.911  1.0
  H  H13  1  0.917  0.911  0.268  1.0
  N  N14  1  0.033  0.052  0.501  1.0
  N  N15  1  0.414  0.501  0.052  1.0
  N  N16  1  0.198  0.217  0.836  1.0
  N  N17  1  0.749  0.836  0.217  1.0
  O  O18  1  0.432  0.951  0.161  1.0
  O  O19  1  0.455  0.161  0.951  1.0
  O  O20  1  0.299  0.818  0.795  1.0
  O  O21  1  0.089  0.795  0.818  1.0
  O  O22  1  0.360  0.365  0.669  1.0
  O  O23  1  0.606  0.669  0.365  1.0
  O  O24  1  0.885  0.890  0.644  1.0
  O  O25  1  0.581  0.644  0.890  1.0
  O  O26  1  0.905  0.221  0.171  1.0
  O  O27  1  0.703  0.171  0.221  1.0
  O  O28  1  0.029  0.345  0.547  1.0
  O  O29  1  0.079  0.547  0.345  1.0
  O  O30  1  0.746  0.467  0.529  1.0
  O  O31  1  0.258  0.529  0.467  1.0
  O  O32  1  0.783  0.504  0.992  1.0
  O  O33  1  0.721  0.992  0.504  1.0
  O  O34  1  0.124  0.278  0.199  1.0
  O  O35  1  0.400  0.199  0.278  1.0
  O  O36  1  0.972  0.126  0.850  1.0
  O  O37  1  0.051  0.850  0.126  1.0
  O  O38  1  0.135  0.347  0.945  1.0
  O  O39  1  0.574  0.945  0.347  1.0
  O  O40  1  0.903  0.115  0.676  1.0
  O  O41  1  0.305  0.676  0.115  1.0
[/CIF]
.