Li4CrBi(TeO6)2 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 4-coordinate geometry to one O(1), one O(11), one O(5), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(4), 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(12), one O(4), one O(6), one O(7), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(3), one O(5), one O(7), one O(8), and one O(9) atom. Cr(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(4), and one O(7) atom to form CrO6 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 35-39°. Bi(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form BiO6 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 43-47°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(8), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-47°. In the second Te site, Te(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form TeO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-45°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Cr(1), and one Te(2) atom to form distorted OLi2CrTe trigonal pyramids that share  a cornercorner with one O(9)Li2BiTe tetrahedra, corners with two equivalent O(11)Li2CrTe tetrahedra, and  an edgeedge with one O(5)Li2BiTe trigonal pyramid. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Bi(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(4), one Bi(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one Cr(1), and one Te(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Bi(1), and one Te(2) atom to form distorted OLi2BiTe trigonal pyramids that share corners with two equivalent O(11)Li2CrTe tetrahedra, corners with three equivalent O(9)Li2BiTe tetrahedra, and  an edgeedge with one O(1)Li2CrTe trigonal pyramid. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Bi(1), and one Te(2) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(3), one Li(4), one Cr(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Bi(1), and one Te(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Bi(1), and one Te(1) atom to form distorted OLi2BiTe tetrahedra that share  a cornercorner with one O(11)Li2CrTe tetrahedra,  a cornercorner with one O(1)Li2CrTe trigonal pyramid, corners with three equivalent O(5)Li2BiTe trigonal pyramids, and  an edgeedge with one O(11)Li2CrTe tetrahedra. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one Cr(1), and one Te(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Cr(1), and one Te(1) atom to form distorted OLi2CrTe tetrahedra that share  a cornercorner with one O(9)Li2BiTe tetrahedra, corners with two equivalent O(5)Li2BiTe trigonal pyramids, corners with two equivalent O(1)Li2CrTe trigonal pyramids, and  an edgeedge with one O(9)Li2BiTe tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Cr(1), and one Te(1) atom.
Li4CrBi(TeO6)2 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 4-coordinate geometry to one O(1), one O(11), one O(5), and one O(9) atom. The Li(1)-O(1) bond length is 1.93 Å. The Li(1)-O(11) bond length is 1.96 Å. The Li(1)-O(5) bond length is 2.42 Å. The Li(1)-O(9) bond length is 1.97 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom. The Li(2)-O(1) bond length is 2.22 Å. The Li(2)-O(10) bond length is 1.98 Å. The Li(2)-O(12) bond length is 2.04 Å. The Li(2)-O(2) bond length is 2.09 Å. The Li(2)-O(4) bond length is 2.28 Å. The Li(2)-O(6) bond length is 2.47 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(4), one O(6), one O(7), and one O(8) atom. The Li(3)-O(10) bond length is 2.13 Å. The Li(3)-O(12) bond length is 2.32 Å. The Li(3)-O(4) bond length is 2.05 Å. The Li(3)-O(6) bond length is 2.01 Å. The Li(3)-O(7) bond length is 2.18 Å. The Li(3)-O(8) bond length is 2.05 Å. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(3), one O(5), one O(7), one O(8), and one O(9) atom. The Li(4)-O(11) bond length is 2.19 Å. The Li(4)-O(3) bond length is 2.05 Å. The Li(4)-O(5) bond length is 2.00 Å. The Li(4)-O(7) bond length is 1.94 Å. The Li(4)-O(8) bond length is 2.49 Å. The Li(4)-O(9) bond length is 2.40 Å. Cr(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(4), and one O(7) atom to form CrO6 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 35-39°. The Cr(1)-O(1) bond length is 2.00 Å. The Cr(1)-O(10) bond length is 2.08 Å. The Cr(1)-O(11) bond length is 2.06 Å. The Cr(1)-O(12) bond length is 2.12 Å. The Cr(1)-O(4) bond length is 2.02 Å. The Cr(1)-O(7) bond length is 2.09 Å. Bi(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form BiO6 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 43-47°. The Bi(1)-O(2) bond length is 2.17 Å. The Bi(1)-O(3) bond length is 2.18 Å. The Bi(1)-O(5) bond length is 2.15 Å. The Bi(1)-O(6) bond length is 2.09 Å. The Bi(1)-O(8) bond length is 2.14 Å. The Bi(1)-O(9) bond length is 2.13 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(8), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-47°. The Te(1)-O(11) bond length is 1.96 Å. The Te(1)-O(12) bond length is 1.92 Å. The Te(1)-O(2) bond length is 1.96 Å. The Te(1)-O(3) bond length is 1.95 Å. The Te(1)-O(8) bond length is 1.98 Å. The Te(1)-O(9) bond length is 1.99 Å. In the second Te site, Te(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form TeO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-45°. The Te(2)-O(1) bond length is 1.95 Å. The Te(2)-O(10) bond length is 1.93 Å. The Te(2)-O(4) bond length is 1.95 Å. The Te(2)-O(5) bond length is 1.97 Å. The Te(2)-O(6) bond length is 1.98 Å. The Te(2)-O(7) bond length is 1.93 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Cr(1), and one Te(2) atom to form distorted OLi2CrTe trigonal pyramids that share  a cornercorner with one O(9)Li2BiTe tetrahedra, corners with two equivalent O(11)Li2CrTe tetrahedra, and  an edgeedge with one O(5)Li2BiTe trigonal pyramid. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Bi(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(4), one Bi(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one Cr(1), and one Te(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Bi(1), and one Te(2) atom to form distorted OLi2BiTe trigonal pyramids that share corners with two equivalent O(11)Li2CrTe tetrahedra, corners with three equivalent O(9)Li2BiTe tetrahedra, and  an edgeedge with one O(1)Li2CrTe trigonal pyramid. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Bi(1), and one Te(2) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(3), one Li(4), one Cr(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Bi(1), and one Te(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Bi(1), and one Te(1) atom to form distorted OLi2BiTe tetrahedra that share  a cornercorner with one O(11)Li2CrTe tetrahedra,  a cornercorner with one O(1)Li2CrTe trigonal pyramid, corners with three equivalent O(5)Li2BiTe trigonal pyramids, and  an edgeedge with one O(11)Li2CrTe tetrahedra. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one Cr(1), and one Te(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Cr(1), and one Te(1) atom to form distorted OLi2CrTe tetrahedra that share  a cornercorner with one O(9)Li2BiTe tetrahedra, corners with two equivalent O(5)Li2BiTe trigonal pyramids, corners with two equivalent O(1)Li2CrTe trigonal pyramids, and  an edgeedge with one O(9)Li2BiTe tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Cr(1), and one Te(1) atom.