The structure described by LiTl6C2(O3F)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(5) atom. There are six inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted water-like geometry to one O(2) and one O(6) atom. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one O(4), one F(1), and one F(2) atom. In the third Tl site, Tl(3) is bonded in a 1-coordinate geometry to one F(2) atom. In the fourth Tl site, Tl(4) is bonded in an L-shaped geometry to one F(1) and one F(2) atom. In the fifth Tl site, Tl(5) is bonded in a 3-coordinate geometry to one O(3), one F(1), and one F(2) atom. In the sixth Tl site, Tl(6) is bonded in a 2-coordinate geometry to one O(4) and one O(6) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Tl(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Tl(5) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Tl(2), one Tl(6), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(6), and one C(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Tl(2), one Tl(4), and one Tl(5) atom. In the second F site, F(2) is bonded in a tetrahedral geometry to one Tl(2), one Tl(3), one Tl(4), and one Tl(5) atom. is represented by the CIF file [CIF]
data_LiTl6C2(O3F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.693
_cell_length_b   7.447
_cell_length_c   8.246
_cell_angle_alpha   117.794
_cell_angle_beta   79.237
_cell_angle_gamma   92.315
_symmetry_Int_Tables_number   1
_cell_volume   356.686
_cell_formula_units_Z   1
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
  Li  Li0  1  0.015  0.957  0.015  1.0
  Tl  Tl1  1  0.269  0.596  0.401  1.0
  Tl  Tl2  1  0.740  0.915  0.688  1.0
  Tl  Tl3  1  0.793  0.368  0.560  1.0
  Tl  Tl4  1  0.318  0.060  0.333  1.0
  Tl  Tl5  1  0.240  0.271  0.856  1.0
  Tl  Tl6  1  0.675  0.652  0.083  1.0
  C  C7  1  0.225  0.673  0.820  1.0
  C  C8  1  0.737  0.297  0.155  1.0
  O  O9  1  0.143  0.712  0.992  1.0
  O  O10  1  0.187  0.806  0.766  1.0
  O  O11  1  0.335  0.508  0.707  1.0
  O  O12  1  0.716  0.268  0.991  1.0
  O  O13  1  0.807  0.151  0.177  1.0
  O  O14  1  0.691  0.476  0.298  1.0
  F  F15  1  0.033  0.086  0.587  1.0
  F  F16  1  0.545  0.097  0.571  1.0
[/CIF]
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The structure described by LiTl6C2(O3F)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(5) atom. There are six inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted water-like geometry to one O(2) and one O(6) atom. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one O(4), one F(1), and one F(2) atom. In the third Tl site, Tl(3) is bonded in a 1-coordinate geometry to one F(2) atom. In the fourth Tl site, Tl(4) is bonded in an L-shaped geometry to one F(1) and one F(2) atom. In the fifth Tl site, Tl(5) is bonded in a 3-coordinate geometry to one O(3), one F(1), and one F(2) atom. In the sixth Tl site, Tl(6) is bonded in a 2-coordinate geometry to one O(4) and one O(6) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Tl(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Tl(5) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Tl(2), one Tl(6), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(6), and one C(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Tl(2), one Tl(4), and one Tl(5) atom. In the second F site, F(2) is bonded in a tetrahedral geometry to one Tl(2), one Tl(3), one Tl(4), and one Tl(5) atom. is represented by the CIF file [CIF]
data_LiTl6C2(O3F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.693
_cell_length_b   7.447
_cell_length_c   8.246
_cell_angle_alpha   117.794
_cell_angle_beta   79.237
_cell_angle_gamma   92.315
_symmetry_Int_Tables_number   1
_cell_volume   356.686
_cell_formula_units_Z   1
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
  Li  Li0  1  0.015  0.957  0.015  1.0
  Tl  Tl1  1  0.269  0.596  0.401  1.0
  Tl  Tl2  1  0.740  0.915  0.688  1.0
  Tl  Tl3  1  0.793  0.368  0.560  1.0
  Tl  Tl4  1  0.318  0.060  0.333  1.0
  Tl  Tl5  1  0.240  0.271  0.856  1.0
  Tl  Tl6  1  0.675  0.652  0.083  1.0
  C  C7  1  0.225  0.673  0.820  1.0
  C  C8  1  0.737  0.297  0.155  1.0
  O  O9  1  0.143  0.712  0.992  1.0
  O  O10  1  0.187  0.806  0.766  1.0
  O  O11  1  0.335  0.508  0.707  1.0
  O  O12  1  0.716  0.268  0.991  1.0
  O  O13  1  0.807  0.151  0.177  1.0
  O  O14  1  0.691  0.476  0.298  1.0
  F  F15  1  0.033  0.086  0.587  1.0
  F  F16  1  0.545  0.097  0.571  1.0
[/CIF]
.