The structure described by LiTl6Si2O7 crystallizes in the triclinic P1 space group. Li(1) is bonded in a bent 120 degrees geometry to one Tl(4), one O(3), and one O(6) atom. There are six inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 2-coordinate geometry to one O(3) and one O(6) atom. In the second Tl site, Tl(2) is bonded in an L-shaped 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 4-coordinate geometry to one Li(1), one O(4), one O(6), 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 distorted T-shaped geometry to one O(2), one O(5), and one O(7) 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 trigonal non-coplanar geometry to one Tl(2), one Tl(5), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond 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 120 degrees geometry to one Li(1), one Tl(1), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Tl(2), one Tl(4), one Tl(5), and one Si(2) atom to form a mixture of distorted edge and corner-sharing OTl3Si trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Tl(3), one Tl(6), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Tl(1), one Tl(4), and one Si(2) atom. In the seventh O site, O(7) is bonded to one Tl(4), one Tl(5), one Tl(6), and one Si(2) atom to form a mixture of distorted edge and corner-sharing OTl3Si tetrahedra. is represented by the CIF card [CIF]
data_LiTl6Si2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.226
_cell_length_b   9.439
_cell_length_c   9.072
_cell_angle_alpha   58.334
_cell_angle_beta   87.854
_cell_angle_gamma   86.753
_symmetry_Int_Tables_number   1
_cell_volume   380.260
_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  0.499  0.411  0.616  1.0
  Tl  Tl1  1  0.771  0.719  0.368  1.0
  Tl  Tl2  1  0.720  0.876  0.710  1.0
  Tl  Tl3  1  0.775  0.402  0.925  1.0
  Tl  Tl4  1  0.125  0.193  0.625  1.0
  Tl  Tl5  1  0.202  0.109  0.275  1.0
  Tl  Tl6  1  0.193  0.609  0.107  1.0
  Si  Si7  1  0.223  0.682  0.655  1.0
  Si  Si8  1  0.686  0.331  0.349  1.0
  O  O9  1  0.288  0.872  0.588  1.0
  O  O10  1  0.212  0.549  0.861  1.0
  O  O11  1  0.322  0.611  0.535  1.0
  O  O12  1  0.837  0.144  0.442  1.0
  O  O13  1  0.793  0.453  0.150  1.0
  O  O14  1  0.754  0.407  0.472  1.0
  O  O15  1  0.373  0.314  0.347  1.0
[/CIF]
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The structure described by LiTl6Si2O7 crystallizes in the triclinic P1 space group. Li(1) is bonded in a bent 120 degrees geometry to one Tl(4), one O(3), and one O(6) atom. There are six inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 2-coordinate geometry to one O(3) and one O(6) atom. In the second Tl site, Tl(2) is bonded in an L-shaped 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 4-coordinate geometry to one Li(1), one O(4), one O(6), 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 distorted T-shaped geometry to one O(2), one O(5), and one O(7) 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 trigonal non-coplanar geometry to one Tl(2), one Tl(5), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond 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 120 degrees geometry to one Li(1), one Tl(1), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Tl(2), one Tl(4), one Tl(5), and one Si(2) atom to form a mixture of distorted edge and corner-sharing OTl3Si trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Tl(3), one Tl(6), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Tl(1), one Tl(4), and one Si(2) atom. In the seventh O site, O(7) is bonded to one Tl(4), one Tl(5), one Tl(6), and one Si(2) atom to form a mixture of distorted edge and corner-sharing OTl3Si tetrahedra. is represented by the CIF card [CIF]
data_LiTl6Si2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.226
_cell_length_b   9.439
_cell_length_c   9.072
_cell_angle_alpha   58.334
_cell_angle_beta   87.854
_cell_angle_gamma   86.753
_symmetry_Int_Tables_number   1
_cell_volume   380.260
_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  0.499  0.411  0.616  1.0
  Tl  Tl1  1  0.771  0.719  0.368  1.0
  Tl  Tl2  1  0.720  0.876  0.710  1.0
  Tl  Tl3  1  0.775  0.402  0.925  1.0
  Tl  Tl4  1  0.125  0.193  0.625  1.0
  Tl  Tl5  1  0.202  0.109  0.275  1.0
  Tl  Tl6  1  0.193  0.609  0.107  1.0
  Si  Si7  1  0.223  0.682  0.655  1.0
  Si  Si8  1  0.686  0.331  0.349  1.0
  O  O9  1  0.288  0.872  0.588  1.0
  O  O10  1  0.212  0.549  0.861  1.0
  O  O11  1  0.322  0.611  0.535  1.0
  O  O12  1  0.837  0.144  0.442  1.0
  O  O13  1  0.793  0.453  0.150  1.0
  O  O14  1  0.754  0.407  0.472  1.0
  O  O15  1  0.373  0.314  0.347  1.0
[/CIF]
.