The material structure described by Li4WFe2TeO12 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) 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 Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) 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 FeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-41°. In the second Fe site, Fe(2) 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 FeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-41°. Te(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 TeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one Fe(1), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one W(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one Fe(1), and one Te(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one Fe(2), and one Te(1) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Fe(2), and one Te(1) atom to form distorted edge-sharing OLi2FeTe trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one W(1), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Fe(1), and one Te(1) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(1), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one W(1), and one Fe(1) atom. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Fe(1), and one Te(1) atom to form distorted edge-sharing OLi2FeTe trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Fe2TeWO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.413
_cell_length_b   10.851
_cell_length_c   9.553
_cell_angle_alpha   28.195
_cell_angle_beta   51.277
_cell_angle_gamma   56.566
_symmetry_Int_Tables_number   1
_cell_volume   206.827
_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  0.293  0.005  0.285  1.0
  Li  Li1  1  0.287  0.493  0.299  1.0
  Li  Li2  1  0.789  1.000  0.787  1.0
  Li  Li3  1  0.787  0.500  0.786  1.0
  Fe  Fe4  1  0.500  0.001  0.504  1.0
  Fe  Fe5  1  0.506  0.500  0.503  1.0
  Te  Te6  1  0.999  0.501  0.999  1.0
  W  W7  1  0.005  0.998  0.005  1.0
  O  O8  1  0.374  0.309  0.111  1.0
  O  O9  1  0.231  0.116  0.634  1.0
  O  O10  1  0.124  0.316  0.733  1.0
  O  O11  1  0.879  0.205  0.217  1.0
  O  O12  1  0.368  0.809  0.125  1.0
  O  O13  1  0.735  0.368  0.374  1.0
  O  O14  1  0.222  0.631  0.624  1.0
  O  O15  1  0.633  0.178  0.869  1.0
  O  O16  1  0.112  0.820  0.735  1.0
  O  O17  1  0.871  0.698  0.235  1.0
  O  O18  1  0.738  0.881  0.364  1.0
  O  O19  1  0.621  0.672  0.885  1.0
[/CIF]
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The material structure described by Li4WFe2TeO12 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) 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 Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) 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 FeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-41°. In the second Fe site, Fe(2) 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 FeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-41°. Te(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 TeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one Fe(1), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one W(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one Fe(1), and one Te(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one Fe(2), and one Te(1) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Fe(2), and one Te(1) atom to form distorted edge-sharing OLi2FeTe trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one W(1), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Fe(1), and one Te(1) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(1), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one W(1), and one Fe(1) atom. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Fe(1), and one Te(1) atom to form distorted edge-sharing OLi2FeTe trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Fe2TeWO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.413
_cell_length_b   10.851
_cell_length_c   9.553
_cell_angle_alpha   28.195
_cell_angle_beta   51.277
_cell_angle_gamma   56.566
_symmetry_Int_Tables_number   1
_cell_volume   206.827
_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  0.293  0.005  0.285  1.0
  Li  Li1  1  0.287  0.493  0.299  1.0
  Li  Li2  1  0.789  1.000  0.787  1.0
  Li  Li3  1  0.787  0.500  0.786  1.0
  Fe  Fe4  1  0.500  0.001  0.504  1.0
  Fe  Fe5  1  0.506  0.500  0.503  1.0
  Te  Te6  1  0.999  0.501  0.999  1.0
  W  W7  1  0.005  0.998  0.005  1.0
  O  O8  1  0.374  0.309  0.111  1.0
  O  O9  1  0.231  0.116  0.634  1.0
  O  O10  1  0.124  0.316  0.733  1.0
  O  O11  1  0.879  0.205  0.217  1.0
  O  O12  1  0.368  0.809  0.125  1.0
  O  O13  1  0.735  0.368  0.374  1.0
  O  O14  1  0.222  0.631  0.624  1.0
  O  O15  1  0.633  0.178  0.869  1.0
  O  O16  1  0.112  0.820  0.735  1.0
  O  O17  1  0.871  0.698  0.235  1.0
  O  O18  1  0.738  0.881  0.364  1.0
  O  O19  1  0.621  0.672  0.885  1.0
[/CIF]
.