The material described by TcC5O5I is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four TcC5O5I clusters. Tc(1) is bonded in a distorted square pyramidal geometry to one C(1), four equivalent C(2), and one I(1) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Tc(1) and one O(1) atom. In the second C site, C(2) is bonded in a linear geometry to one Tc(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(2) atom. I(1) is bonded in a single-bond geometry to one Tc(1) atom. is represented by the CIF file [CIF]
data_TcC5IO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.869
_cell_length_b   6.869
_cell_length_c   11.027
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.408
_symmetry_Int_Tables_number   1
_cell_volume   484.423
_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
  Tc  Tc0  1  0.358  0.642  0.250  1.0
  Tc  Tc1  1  0.642  0.358  0.750  1.0
  C  C2  1  0.187  0.813  0.250  1.0
  C  C3  1  0.813  0.187  0.750  1.0
  C  C4  1  0.181  0.447  0.377  1.0
  C  C5  1  0.447  0.181  0.623  1.0
  C  C6  1  0.181  0.447  0.123  1.0
  C  C7  1  0.447  0.181  0.877  1.0
  C  C8  1  0.819  0.553  0.623  1.0
  C  C9  1  0.553  0.819  0.377  1.0
  C  C10  1  0.819  0.553  0.877  1.0
  C  C11  1  0.553  0.819  0.123  1.0
  I  I12  1  0.609  0.391  0.250  1.0
  I  I13  1  0.391  0.609  0.750  1.0
  O  O14  1  0.085  0.915  0.250  1.0
  O  O15  1  0.915  0.085  0.750  1.0
  O  O16  1  0.080  0.331  0.448  1.0
  O  O17  1  0.331  0.080  0.552  1.0
  O  O18  1  0.080  0.331  0.052  1.0
  O  O19  1  0.331  0.080  0.948  1.0
  O  O20  1  0.920  0.669  0.552  1.0
  O  O21  1  0.669  0.920  0.448  1.0
  O  O22  1  0.920  0.669  0.948  1.0
  O  O23  1  0.669  0.920  0.052  1.0
[/CIF]
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The material described by TcC5O5I is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four TcC5O5I clusters. Tc(1) is bonded in a distorted square pyramidal geometry to one C(1), four equivalent C(2), and one I(1) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Tc(1) and one O(1) atom. In the second C site, C(2) is bonded in a linear geometry to one Tc(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(2) atom. I(1) is bonded in a single-bond geometry to one Tc(1) atom. is represented by the CIF file [CIF]
data_TcC5IO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.869
_cell_length_b   6.869
_cell_length_c   11.027
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.408
_symmetry_Int_Tables_number   1
_cell_volume   484.423
_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
  Tc  Tc0  1  0.358  0.642  0.250  1.0
  Tc  Tc1  1  0.642  0.358  0.750  1.0
  C  C2  1  0.187  0.813  0.250  1.0
  C  C3  1  0.813  0.187  0.750  1.0
  C  C4  1  0.181  0.447  0.377  1.0
  C  C5  1  0.447  0.181  0.623  1.0
  C  C6  1  0.181  0.447  0.123  1.0
  C  C7  1  0.447  0.181  0.877  1.0
  C  C8  1  0.819  0.553  0.623  1.0
  C  C9  1  0.553  0.819  0.377  1.0
  C  C10  1  0.819  0.553  0.877  1.0
  C  C11  1  0.553  0.819  0.123  1.0
  I  I12  1  0.609  0.391  0.250  1.0
  I  I13  1  0.391  0.609  0.750  1.0
  O  O14  1  0.085  0.915  0.250  1.0
  O  O15  1  0.915  0.085  0.750  1.0
  O  O16  1  0.080  0.331  0.448  1.0
  O  O17  1  0.331  0.080  0.552  1.0
  O  O18  1  0.080  0.331  0.052  1.0
  O  O19  1  0.331  0.080  0.948  1.0
  O  O20  1  0.920  0.669  0.552  1.0
  O  O21  1  0.669  0.920  0.448  1.0
  O  O22  1  0.920  0.669  0.948  1.0
  O  O23  1  0.669  0.920  0.052  1.0
[/CIF]
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