The crystal structure described by TlFeC3NO4 is Indium-derived structured and crystallizes in the cubic P2_13 space group. The structure is zero-dimensional and consists of four 7440-28-0 atoms and four FeC3NO4 clusters. In each FeC3NO4 cluster, Fe(1) is bonded in a distorted tetrahedral geometry to three equivalent C(1) and one N(1) atom. C(1) is bonded in a linear geometry to one Fe(1) and one O(2) atom. N(1) is bonded in a linear geometry to one Fe(1) and one O(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one N(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF card [CIF]
data_TlFeC3NO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.137
_cell_length_b   9.137
_cell_length_c   9.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   762.815
_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
  Tl  Tl0  1  0.940  0.560  0.440  1.0
  Tl  Tl1  1  0.560  0.440  0.940  1.0
  Tl  Tl2  1  0.440  0.940  0.560  1.0
  Tl  Tl3  1  0.060  0.060  0.060  1.0
  Fe  Fe4  1  0.441  0.059  0.941  1.0
  Fe  Fe5  1  0.059  0.941  0.441  1.0
  Fe  Fe6  1  0.941  0.441  0.059  1.0
  Fe  Fe7  1  0.559  0.559  0.559  1.0
  C  C8  1  0.062  0.912  0.632  1.0
  C  C9  1  0.912  0.632  0.062  1.0
  C  C10  1  0.412  0.868  0.938  1.0
  C  C11  1  0.088  0.132  0.438  1.0
  C  C12  1  0.868  0.938  0.412  1.0
  C  C13  1  0.438  0.088  0.132  1.0
  C  C14  1  0.938  0.412  0.868  1.0
  C  C15  1  0.588  0.368  0.562  1.0
  C  C16  1  0.132  0.438  0.088  1.0
  C  C17  1  0.562  0.588  0.368  1.0
  C  C18  1  0.368  0.562  0.588  1.0
  C  C19  1  0.632  0.062  0.912  1.0
  N  N20  1  0.336  0.164  0.836  1.0
  N  N21  1  0.164  0.836  0.336  1.0
  N  N22  1  0.836  0.336  0.164  1.0
  N  N23  1  0.664  0.664  0.664  1.0
  O  O24  1  0.260  0.240  0.760  1.0
  O  O25  1  0.240  0.760  0.260  1.0
  O  O26  1  0.760  0.260  0.240  1.0
  O  O27  1  0.740  0.740  0.740  1.0
  O  O28  1  0.893  0.759  0.067  1.0
  O  O29  1  0.067  0.893  0.759  1.0
  O  O30  1  0.759  0.067  0.893  1.0
  O  O31  1  0.933  0.393  0.741  1.0
  O  O32  1  0.433  0.107  0.259  1.0
  O  O33  1  0.741  0.933  0.393  1.0
  O  O34  1  0.107  0.259  0.433  1.0
  O  O35  1  0.393  0.741  0.933  1.0
  O  O36  1  0.607  0.241  0.567  1.0
  O  O37  1  0.567  0.607  0.241  1.0
  O  O38  1  0.241  0.567  0.607  1.0
  O  O39  1  0.259  0.433  0.107  1.0
[/CIF]
.
The crystal structure described by TlFeC3NO4 is Indium-derived structured and crystallizes in the cubic P2_13 space group. The structure is zero-dimensional and consists of four 7440-28-0 atoms and four FeC3NO4 clusters. In each FeC3NO4 cluster, Fe(1) is bonded in a distorted tetrahedral geometry to three equivalent C(1) and one N(1) atom. C(1) is bonded in a linear geometry to one Fe(1) and one O(2) atom. N(1) is bonded in a linear geometry to one Fe(1) and one O(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one N(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF card [CIF]
data_TlFeC3NO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.137
_cell_length_b   9.137
_cell_length_c   9.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   762.815
_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
  Tl  Tl0  1  0.940  0.560  0.440  1.0
  Tl  Tl1  1  0.560  0.440  0.940  1.0
  Tl  Tl2  1  0.440  0.940  0.560  1.0
  Tl  Tl3  1  0.060  0.060  0.060  1.0
  Fe  Fe4  1  0.441  0.059  0.941  1.0
  Fe  Fe5  1  0.059  0.941  0.441  1.0
  Fe  Fe6  1  0.941  0.441  0.059  1.0
  Fe  Fe7  1  0.559  0.559  0.559  1.0
  C  C8  1  0.062  0.912  0.632  1.0
  C  C9  1  0.912  0.632  0.062  1.0
  C  C10  1  0.412  0.868  0.938  1.0
  C  C11  1  0.088  0.132  0.438  1.0
  C  C12  1  0.868  0.938  0.412  1.0
  C  C13  1  0.438  0.088  0.132  1.0
  C  C14  1  0.938  0.412  0.868  1.0
  C  C15  1  0.588  0.368  0.562  1.0
  C  C16  1  0.132  0.438  0.088  1.0
  C  C17  1  0.562  0.588  0.368  1.0
  C  C18  1  0.368  0.562  0.588  1.0
  C  C19  1  0.632  0.062  0.912  1.0
  N  N20  1  0.336  0.164  0.836  1.0
  N  N21  1  0.164  0.836  0.336  1.0
  N  N22  1  0.836  0.336  0.164  1.0
  N  N23  1  0.664  0.664  0.664  1.0
  O  O24  1  0.260  0.240  0.760  1.0
  O  O25  1  0.240  0.760  0.260  1.0
  O  O26  1  0.760  0.260  0.240  1.0
  O  O27  1  0.740  0.740  0.740  1.0
  O  O28  1  0.893  0.759  0.067  1.0
  O  O29  1  0.067  0.893  0.759  1.0
  O  O30  1  0.759  0.067  0.893  1.0
  O  O31  1  0.933  0.393  0.741  1.0
  O  O32  1  0.433  0.107  0.259  1.0
  O  O33  1  0.741  0.933  0.393  1.0
  O  O34  1  0.107  0.259  0.433  1.0
  O  O35  1  0.393  0.741  0.933  1.0
  O  O36  1  0.607  0.241  0.567  1.0
  O  O37  1  0.567  0.607  0.241  1.0
  O  O38  1  0.241  0.567  0.607  1.0
  O  O39  1  0.259  0.433  0.107  1.0
[/CIF]
.