The material described by TlH6(NO4)3 is Indium-like structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of six dinitrooxythallanyl nitrate;trihydrate molecules. Tl(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(4) atoms. N(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a water-like geometry to one Tl(1) and one N(1) atom. In the second O site, O(3) is bonded in a single-bond geometry to one N(1) atom. In the third O site, O(4) is bonded in a water-like geometry to one Tl(1), one H(1), and one H(2) atom. In the fourth O site, O(1) is bonded in a single-bond geometry to one N(1) atom. is represented by the CIF file [CIF]
data_TlH6(NO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.882
_cell_length_b   7.882
_cell_length_c   7.882
_cell_angle_alpha   100.661
_cell_angle_beta   100.661
_cell_angle_gamma   100.661
_symmetry_Int_Tables_number   1
_cell_volume   460.568
_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
  Tl  Tl0  1  0.244  0.244  0.244  1.0
  Tl  Tl1  1  0.756  0.756  0.756  1.0
  H  H2  1  0.579  0.304  0.145  1.0
  H  H3  1  0.304  0.145  0.579  1.0
  H  H4  1  0.145  0.579  0.304  1.0
  H  H5  1  0.421  0.696  0.855  1.0
  H  H6  1  0.696  0.855  0.421  1.0
  H  H7  1  0.855  0.421  0.696  1.0
  H  H8  1  0.639  0.329  0.353  1.0
  H  H9  1  0.329  0.353  0.639  1.0
  H  H10  1  0.353  0.639  0.329  1.0
  H  H11  1  0.361  0.671  0.647  1.0
  H  H12  1  0.671  0.647  0.361  1.0
  H  H13  1  0.647  0.361  0.671  1.0
  N  N14  1  0.900  0.138  0.340  1.0
  N  N15  1  0.138  0.340  0.900  1.0
  N  N16  1  0.340  0.900  0.138  1.0
  N  N17  1  0.100  0.862  0.660  1.0
  N  N18  1  0.862  0.660  0.100  1.0
  N  N19  1  0.660  0.100  0.862  1.0
  O  O20  1  0.758  0.067  0.372  1.0
  O  O21  1  0.067  0.372  0.758  1.0
  O  O22  1  0.372  0.758  0.067  1.0
  O  O23  1  0.242  0.933  0.628  1.0
  O  O24  1  0.933  0.628  0.242  1.0
  O  O25  1  0.628  0.242  0.933  1.0
  O  O26  1  0.007  0.040  0.291  1.0
  O  O27  1  0.040  0.291  0.007  1.0
  O  O28  1  0.291  0.007  0.040  1.0
  O  O29  1  0.993  0.960  0.709  1.0
  O  O30  1  0.960  0.709  0.993  1.0
  O  O31  1  0.709  0.993  0.960  1.0
  O  O32  1  0.943  0.302  0.352  1.0
  O  O33  1  0.302  0.352  0.943  1.0
  O  O34  1  0.352  0.943  0.302  1.0
  O  O35  1  0.057  0.698  0.648  1.0
  O  O36  1  0.698  0.648  0.057  1.0
  O  O37  1  0.648  0.057  0.698  1.0
  O  O38  1  0.551  0.353  0.260  1.0
  O  O39  1  0.353  0.260  0.551  1.0
  O  O40  1  0.260  0.551  0.353  1.0
  O  O41  1  0.449  0.647  0.740  1.0
  O  O42  1  0.647  0.740  0.449  1.0
  O  O43  1  0.740  0.449  0.647  1.0
[/CIF]
.
The material described by TlH6(NO4)3 is Indium-like structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of six dinitrooxythallanyl nitrate;trihydrate molecules. Tl(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(4) atoms. N(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a water-like geometry to one Tl(1) and one N(1) atom. In the second O site, O(3) is bonded in a single-bond geometry to one N(1) atom. In the third O site, O(4) is bonded in a water-like geometry to one Tl(1), one H(1), and one H(2) atom. In the fourth O site, O(1) is bonded in a single-bond geometry to one N(1) atom. is represented by the CIF file [CIF]
data_TlH6(NO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.882
_cell_length_b   7.882
_cell_length_c   7.882
_cell_angle_alpha   100.661
_cell_angle_beta   100.661
_cell_angle_gamma   100.661
_symmetry_Int_Tables_number   1
_cell_volume   460.568
_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
  Tl  Tl0  1  0.244  0.244  0.244  1.0
  Tl  Tl1  1  0.756  0.756  0.756  1.0
  H  H2  1  0.579  0.304  0.145  1.0
  H  H3  1  0.304  0.145  0.579  1.0
  H  H4  1  0.145  0.579  0.304  1.0
  H  H5  1  0.421  0.696  0.855  1.0
  H  H6  1  0.696  0.855  0.421  1.0
  H  H7  1  0.855  0.421  0.696  1.0
  H  H8  1  0.639  0.329  0.353  1.0
  H  H9  1  0.329  0.353  0.639  1.0
  H  H10  1  0.353  0.639  0.329  1.0
  H  H11  1  0.361  0.671  0.647  1.0
  H  H12  1  0.671  0.647  0.361  1.0
  H  H13  1  0.647  0.361  0.671  1.0
  N  N14  1  0.900  0.138  0.340  1.0
  N  N15  1  0.138  0.340  0.900  1.0
  N  N16  1  0.340  0.900  0.138  1.0
  N  N17  1  0.100  0.862  0.660  1.0
  N  N18  1  0.862  0.660  0.100  1.0
  N  N19  1  0.660  0.100  0.862  1.0
  O  O20  1  0.758  0.067  0.372  1.0
  O  O21  1  0.067  0.372  0.758  1.0
  O  O22  1  0.372  0.758  0.067  1.0
  O  O23  1  0.242  0.933  0.628  1.0
  O  O24  1  0.933  0.628  0.242  1.0
  O  O25  1  0.628  0.242  0.933  1.0
  O  O26  1  0.007  0.040  0.291  1.0
  O  O27  1  0.040  0.291  0.007  1.0
  O  O28  1  0.291  0.007  0.040  1.0
  O  O29  1  0.993  0.960  0.709  1.0
  O  O30  1  0.960  0.709  0.993  1.0
  O  O31  1  0.709  0.993  0.960  1.0
  O  O32  1  0.943  0.302  0.352  1.0
  O  O33  1  0.302  0.352  0.943  1.0
  O  O34  1  0.352  0.943  0.302  1.0
  O  O35  1  0.057  0.698  0.648  1.0
  O  O36  1  0.698  0.648  0.057  1.0
  O  O37  1  0.648  0.057  0.698  1.0
  O  O38  1  0.551  0.353  0.260  1.0
  O  O39  1  0.353  0.260  0.551  1.0
  O  O40  1  0.260  0.551  0.353  1.0
  O  O41  1  0.449  0.647  0.740  1.0
  O  O42  1  0.647  0.740  0.449  1.0
  O  O43  1  0.740  0.449  0.647  1.0
[/CIF]
.