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.
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. The Li(1)-O(1) bond length is 2.20 Å. The Li(1)-O(11) bond length is 2.25 Å. The Li(1)-O(4) bond length is 2.03 Å. The Li(1)-O(7) bond length is 2.03 Å. The Li(1)-O(8) bond length is 2.06 Å. The Li(1)-O(9) bond length is 2.27 Å. 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. The Li(2)-O(10) bond length is 2.05 Å. The Li(2)-O(12) bond length is 2.02 Å. The Li(2)-O(2) bond length is 2.03 Å. The Li(2)-O(3) bond length is 2.22 Å. The Li(2)-O(5) bond length is 2.32 Å. The Li(2)-O(6) bond length is 2.25 Å. 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. The Li(3)-O(10) bond length is 2.30 Å. The Li(3)-O(2) bond length is 2.27 Å. The Li(3)-O(5) bond length is 2.03 Å. The Li(3)-O(6) bond length is 2.00 Å. The Li(3)-O(8) bond length is 2.26 Å. The Li(3)-O(9) bond length is 1.99 Å. 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. The Li(4)-O(1) bond length is 2.00 Å. The Li(4)-O(11) bond length is 2.04 Å. The Li(4)-O(12) bond length is 2.32 Å. The Li(4)-O(3) bond length is 2.05 Å. The Li(4)-O(4) bond length is 2.24 Å. The Li(4)-O(7) bond length is 2.28 Å. 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°. The W(1)-O(10) bond length is 1.98 Å. The W(1)-O(11) bond length is 1.90 Å. The W(1)-O(2) bond length is 2.00 Å. The W(1)-O(3) bond length is 1.90 Å. The W(1)-O(5) bond length is 1.90 Å. The W(1)-O(8) bond length is 2.01 Å. 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°. The Fe(1)-O(1) bond length is 2.07 Å. The Fe(1)-O(11) bond length is 2.04 Å. The Fe(1)-O(12) bond length is 1.98 Å. The Fe(1)-O(2) bond length is 1.93 Å. The Fe(1)-O(4) bond length is 1.98 Å. The Fe(1)-O(9) bond length is 2.05 Å. 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°. The Fe(2)-O(10) bond length is 1.94 Å. The Fe(2)-O(3) bond length is 2.05 Å. The Fe(2)-O(5) bond length is 2.03 Å. The Fe(2)-O(6) bond length is 2.08 Å. The Fe(2)-O(7) bond length is 2.00 Å. The Fe(2)-O(8) bond length is 1.93 Å. 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°. The Te(1)-O(1) bond length is 1.93 Å. The Te(1)-O(12) bond length is 1.97 Å. The Te(1)-O(4) bond length is 1.97 Å. The Te(1)-O(6) bond length is 1.93 Å. The Te(1)-O(7) bond length is 1.96 Å. The Te(1)-O(9) bond length is 1.93 Å. 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.