The material structure described by LiTl6Si2O7 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(3), one O(6), and one O(7) atom. There are six inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted L-shaped geometry to one O(3) and one O(6) atom. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one O(1) and one O(4) atom. In the third Tl site, Tl(3) is bonded in a 2-coordinate geometry to one O(2) and one O(5) atom. In the fourth Tl site, Tl(4) is bonded in a 2-coordinate geometry to one O(4) and one O(7) atom. In the fifth Tl site, Tl(5) is bonded in a distorted T-shaped geometry to one O(1), one O(4), and one O(7) atom. In the sixth Tl site, Tl(6) is bonded in a 2-coordinate geometry to one O(2) and one O(5) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Tl(2), one Tl(5), and one Si(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Tl(3), one Tl(6), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Tl(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Tl(2), one Tl(4), one Tl(5), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Tl(3), one Tl(6), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Tl(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Tl(4), one Tl(5), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTl6Si2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.151
_cell_length_b   9.236
_cell_length_c   9.232
_cell_angle_alpha   58.042
_cell_angle_beta   88.003
_cell_angle_gamma   89.233
_symmetry_Int_Tables_number   1
_cell_volume   372.406
_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  0.203  0.512  0.402  1.0
  Tl  Tl1  1  0.750  0.750  0.362  1.0
  Tl  Tl2  1  0.710  0.868  0.712  1.0
  Tl  Tl3  1  0.740  0.366  0.922  1.0
  Tl  Tl4  1  0.125  0.172  0.659  1.0
  Tl  Tl5  1  0.192  0.128  0.291  1.0
  Tl  Tl6  1  0.176  0.625  0.043  1.0
  Si  Si7  1  0.272  0.677  0.646  1.0
  Si  Si8  1  0.704  0.355  0.342  1.0
  O  O9  1  0.199  0.867  0.603  1.0
  O  O10  1  0.219  0.522  0.841  1.0
  O  O11  1  0.266  0.644  0.493  1.0
  O  O12  1  0.820  0.157  0.454  1.0
  O  O13  1  0.785  0.439  0.137  1.0
  O  O14  1  0.842  0.465  0.414  1.0
  O  O15  1  0.383  0.350  0.368  1.0
[/CIF]
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The material structure described by LiTl6Si2O7 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(3), one O(6), and one O(7) atom. There are six inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted L-shaped geometry to one O(3) and one O(6) atom. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one O(1) and one O(4) atom. In the third Tl site, Tl(3) is bonded in a 2-coordinate geometry to one O(2) and one O(5) atom. In the fourth Tl site, Tl(4) is bonded in a 2-coordinate geometry to one O(4) and one O(7) atom. In the fifth Tl site, Tl(5) is bonded in a distorted T-shaped geometry to one O(1), one O(4), and one O(7) atom. In the sixth Tl site, Tl(6) is bonded in a 2-coordinate geometry to one O(2) and one O(5) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Tl(2), one Tl(5), and one Si(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Tl(3), one Tl(6), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Tl(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Tl(2), one Tl(4), one Tl(5), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Tl(3), one Tl(6), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Tl(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Tl(4), one Tl(5), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTl6Si2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.151
_cell_length_b   9.236
_cell_length_c   9.232
_cell_angle_alpha   58.042
_cell_angle_beta   88.003
_cell_angle_gamma   89.233
_symmetry_Int_Tables_number   1
_cell_volume   372.406
_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  0.203  0.512  0.402  1.0
  Tl  Tl1  1  0.750  0.750  0.362  1.0
  Tl  Tl2  1  0.710  0.868  0.712  1.0
  Tl  Tl3  1  0.740  0.366  0.922  1.0
  Tl  Tl4  1  0.125  0.172  0.659  1.0
  Tl  Tl5  1  0.192  0.128  0.291  1.0
  Tl  Tl6  1  0.176  0.625  0.043  1.0
  Si  Si7  1  0.272  0.677  0.646  1.0
  Si  Si8  1  0.704  0.355  0.342  1.0
  O  O9  1  0.199  0.867  0.603  1.0
  O  O10  1  0.219  0.522  0.841  1.0
  O  O11  1  0.266  0.644  0.493  1.0
  O  O12  1  0.820  0.157  0.454  1.0
  O  O13  1  0.785  0.439  0.137  1.0
  O  O14  1  0.842  0.465  0.414  1.0
  O  O15  1  0.383  0.350  0.368  1.0
[/CIF]
.