The crystal structure described by LiWSbTe2O12 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. W(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form WO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-39°. Sb(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form SbO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-40°. In the second Te site, Te(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-40°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sb(1) and one Te(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one Te(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sb(1) and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one Te(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Sb(1) and one Te(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one Te(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one Te(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one W(1) and one Te(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Sb(1) and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSbTe2WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.149
_cell_length_b   5.342
_cell_length_c   7.436
_cell_angle_alpha   93.015
_cell_angle_beta   90.185
_cell_angle_gamma   90.088
_symmetry_Int_Tables_number   1
_cell_volume   204.288
_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  0.999  0.474  0.762  1.0
  Sb  Sb1  1  0.499  0.507  0.492  1.0
  Te  Te2  1  0.502  0.509  0.000  1.0
  Te  Te3  1  0.000  0.003  0.495  1.0
  W  W4  1  0.003  0.010  0.001  1.0
  O  O5  1  0.308  0.186  0.433  1.0
  O  O6  1  0.104  0.010  0.750  1.0
  O  O7  1  0.305  0.814  0.052  1.0
  O  O8  1  0.175  0.691  0.438  1.0
  O  O9  1  0.809  0.698  0.934  1.0
  O  O10  1  0.374  0.508  0.754  1.0
  O  O11  1  0.630  0.507  0.240  1.0
  O  O12  1  0.193  0.317  0.050  1.0
  O  O13  1  0.819  0.315  0.559  1.0
  O  O14  1  0.701  0.207  0.938  1.0
  O  O15  1  0.885  0.008  0.244  1.0
  O  O16  1  0.695  0.819  0.563  1.0
[/CIF]
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The crystal structure described by LiWSbTe2O12 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. W(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form WO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-39°. Sb(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form SbO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-40°. In the second Te site, Te(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-40°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sb(1) and one Te(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one Te(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sb(1) and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one Te(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Sb(1) and one Te(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one Te(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one Te(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one W(1) and one Te(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Sb(1) and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSbTe2WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.149
_cell_length_b   5.342
_cell_length_c   7.436
_cell_angle_alpha   93.015
_cell_angle_beta   90.185
_cell_angle_gamma   90.088
_symmetry_Int_Tables_number   1
_cell_volume   204.288
_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  0.999  0.474  0.762  1.0
  Sb  Sb1  1  0.499  0.507  0.492  1.0
  Te  Te2  1  0.502  0.509  0.000  1.0
  Te  Te3  1  0.000  0.003  0.495  1.0
  W  W4  1  0.003  0.010  0.001  1.0
  O  O5  1  0.308  0.186  0.433  1.0
  O  O6  1  0.104  0.010  0.750  1.0
  O  O7  1  0.305  0.814  0.052  1.0
  O  O8  1  0.175  0.691  0.438  1.0
  O  O9  1  0.809  0.698  0.934  1.0
  O  O10  1  0.374  0.508  0.754  1.0
  O  O11  1  0.630  0.507  0.240  1.0
  O  O12  1  0.193  0.317  0.050  1.0
  O  O13  1  0.819  0.315  0.559  1.0
  O  O14  1  0.701  0.207  0.938  1.0
  O  O15  1  0.885  0.008  0.244  1.0
  O  O16  1  0.695  0.819  0.563  1.0
[/CIF]
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