The crystal structure described by TlCoTl2Cl5 crystallizes in the tetragonal I4/mcm space group. The structure consists of four 7440-28-0 atoms inside a CoTl2Cl5 framework. In the CoTl2Cl5 framework, Co(1) is bonded in a tetrahedral geometry to four equivalent Cl(2) atoms. Tl(2) is bonded in a 4-coordinate geometry to two equivalent Cl(1) and two equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a square co-planar geometry to four equivalent Tl(2) atoms. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Co(1) and one Tl(2) atom. is represented by the CIF card [CIF]
data_Tl3CoCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.399
_cell_length_b   8.399
_cell_length_c   9.340
_cell_angle_alpha   116.719
_cell_angle_beta   116.719
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   508.495
_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  0.750  0.750  0.500  1.0
  Tl  Tl1  1  0.250  0.250  0.500  1.0
  Tl  Tl2  1  0.340  0.840  0.000  1.0
  Tl  Tl3  1  0.160  0.340  0.000  1.0
  Tl  Tl4  1  0.840  0.660  0.000  1.0
  Tl  Tl5  1  0.660  0.160  0.000  1.0
  Co  Co6  1  0.750  0.250  0.500  1.0
  Co  Co7  1  0.250  0.750  0.500  1.0
  Cl  Cl8  1  0.500  0.500  0.000  1.0
  Cl  Cl9  1  0.000  0.000  0.000  1.0
  Cl  Cl10  1  0.005  0.505  0.310  1.0
  Cl  Cl11  1  0.694  0.194  0.690  1.0
  Cl  Cl12  1  0.995  0.495  0.690  1.0
  Cl  Cl13  1  0.194  0.995  0.690  1.0
  Cl  Cl14  1  0.495  0.694  0.690  1.0
  Cl  Cl15  1  0.806  0.005  0.310  1.0
  Cl  Cl16  1  0.306  0.806  0.310  1.0
  Cl  Cl17  1  0.505  0.306  0.310  1.0
[/CIF]
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The crystal structure described by TlCoTl2Cl5 crystallizes in the tetragonal I4/mcm space group. The structure consists of four 7440-28-0 atoms inside a CoTl2Cl5 framework. In the CoTl2Cl5 framework, Co(1) is bonded in a tetrahedral geometry to four equivalent Cl(2) atoms. Tl(2) is bonded in a 4-coordinate geometry to two equivalent Cl(1) and two equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a square co-planar geometry to four equivalent Tl(2) atoms. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Co(1) and one Tl(2) atom. is represented by the CIF card [CIF]
data_Tl3CoCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.399
_cell_length_b   8.399
_cell_length_c   9.340
_cell_angle_alpha   116.719
_cell_angle_beta   116.719
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   508.495
_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  0.750  0.750  0.500  1.0
  Tl  Tl1  1  0.250  0.250  0.500  1.0
  Tl  Tl2  1  0.340  0.840  0.000  1.0
  Tl  Tl3  1  0.160  0.340  0.000  1.0
  Tl  Tl4  1  0.840  0.660  0.000  1.0
  Tl  Tl5  1  0.660  0.160  0.000  1.0
  Co  Co6  1  0.750  0.250  0.500  1.0
  Co  Co7  1  0.250  0.750  0.500  1.0
  Cl  Cl8  1  0.500  0.500  0.000  1.0
  Cl  Cl9  1  0.000  0.000  0.000  1.0
  Cl  Cl10  1  0.005  0.505  0.310  1.0
  Cl  Cl11  1  0.694  0.194  0.690  1.0
  Cl  Cl12  1  0.995  0.495  0.690  1.0
  Cl  Cl13  1  0.194  0.995  0.690  1.0
  Cl  Cl14  1  0.495  0.694  0.690  1.0
  Cl  Cl15  1  0.806  0.005  0.310  1.0
  Cl  Cl16  1  0.306  0.806  0.310  1.0
  Cl  Cl17  1  0.505  0.306  0.310  1.0
[/CIF]
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