The structure described by Tl4CO5 is Indium-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four Tl4CO5 clusters. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one O(1) atom. In the second Tl site, Tl(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the third Tl site, Tl(3) is bonded in an L-shaped geometry to two equivalent O(1) atoms. C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Tl(1), one Tl(2), and one Tl(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(3) is bonded in a distorted L-shaped geometry to one Tl(2) and one C(1) atom. is represented by the CIF card [CIF]
data_Tl4CO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.167
_cell_length_b   8.167
_cell_length_c   8.587
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.826
_symmetry_Int_Tables_number   1
_cell_volume   569.798
_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  0.683  0.823  0.919  1.0
  Tl  Tl1  1  0.177  0.317  0.919  1.0
  Tl  Tl2  1  0.317  0.177  0.419  1.0
  Tl  Tl3  1  0.823  0.683  0.419  1.0
  Tl  Tl4  1  0.220  0.780  0.539  1.0
  Tl  Tl5  1  0.780  0.220  0.039  1.0
  Tl  Tl6  1  0.759  0.241  0.665  1.0
  Tl  Tl7  1  0.241  0.759  0.165  1.0
  C  C8  1  0.055  0.945  0.760  1.0
  C  C9  1  0.945  0.055  0.260  1.0
  O  O10  1  0.608  0.098  0.882  1.0
  O  O11  1  0.902  0.392  0.882  1.0
  O  O12  1  0.392  0.902  0.382  1.0
  O  O13  1  0.098  0.608  0.382  1.0
  O  O14  1  0.973  0.027  0.856  1.0
  O  O15  1  0.027  0.973  0.356  1.0
  O  O16  1  0.201  0.005  0.710  1.0
  O  O17  1  0.995  0.799  0.710  1.0
  O  O18  1  0.799  0.995  0.210  1.0
  O  O19  1  0.005  0.201  0.210  1.0
[/CIF]
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The structure described by Tl4CO5 is Indium-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four Tl4CO5 clusters. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one O(1) atom. In the second Tl site, Tl(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the third Tl site, Tl(3) is bonded in an L-shaped geometry to two equivalent O(1) atoms. C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Tl(1), one Tl(2), and one Tl(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(3) is bonded in a distorted L-shaped geometry to one Tl(2) and one C(1) atom. is represented by the CIF card [CIF]
data_Tl4CO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.167
_cell_length_b   8.167
_cell_length_c   8.587
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.826
_symmetry_Int_Tables_number   1
_cell_volume   569.798
_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  0.683  0.823  0.919  1.0
  Tl  Tl1  1  0.177  0.317  0.919  1.0
  Tl  Tl2  1  0.317  0.177  0.419  1.0
  Tl  Tl3  1  0.823  0.683  0.419  1.0
  Tl  Tl4  1  0.220  0.780  0.539  1.0
  Tl  Tl5  1  0.780  0.220  0.039  1.0
  Tl  Tl6  1  0.759  0.241  0.665  1.0
  Tl  Tl7  1  0.241  0.759  0.165  1.0
  C  C8  1  0.055  0.945  0.760  1.0
  C  C9  1  0.945  0.055  0.260  1.0
  O  O10  1  0.608  0.098  0.882  1.0
  O  O11  1  0.902  0.392  0.882  1.0
  O  O12  1  0.392  0.902  0.382  1.0
  O  O13  1  0.098  0.608  0.382  1.0
  O  O14  1  0.973  0.027  0.856  1.0
  O  O15  1  0.027  0.973  0.356  1.0
  O  O16  1  0.201  0.005  0.710  1.0
  O  O17  1  0.995  0.799  0.710  1.0
  O  O18  1  0.799  0.995  0.210  1.0
  O  O19  1  0.005  0.201  0.210  1.0
[/CIF]
.