LiSiBiO4 is Chalcostibite-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Bi(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Bi(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Bi(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Bi(1)O4 tetrahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form distorted BiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Si(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Si(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Si(2), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(2), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Si(2), one Bi(1), and one Bi(2) atom.
LiSiBiO4 is Chalcostibite-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Bi(1)O4 tetrahedra. The Li(1)-O(1) bond length is 1.97 Å. The Li(1)-O(3) bond length is 1.97 Å. The Li(1)-O(6) bond length is 1.94 Å. The Li(1)-O(8) bond length is 2.12 Å. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Bi(1)O4 tetrahedra. The Li(2)-O(2) bond length is 1.90 Å. The Li(2)-O(4) bond length is 1.92 Å. The Li(2)-O(5) bond length is 1.97 Å. The Li(2)-O(7) bond length is 2.02 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Bi(1)O4 tetrahedra. The Si(1)-O(1) bond length is 1.65 Å. The Si(1)-O(2) bond length is 1.64 Å. The Si(1)-O(3) bond length is 1.65 Å. The Si(1)-O(5) bond length is 1.64 Å. In the second Si site, Si(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Bi(1)O4 tetrahedra. The Si(2)-O(4) bond length is 1.66 Å. The Si(2)-O(6) bond length is 1.64 Å. The Si(2)-O(7) bond length is 1.67 Å. The Si(2)-O(8) bond length is 1.67 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form distorted BiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The Bi(1)-O(1) bond length is 2.32 Å. The Bi(1)-O(2) bond length is 2.26 Å. The Bi(1)-O(4) bond length is 2.23 Å. The Bi(1)-O(8) bond length is 2.41 Å. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(6), one O(7), and one O(8) atom. The Bi(2)-O(3) bond length is 2.18 Å. The Bi(2)-O(5) bond length is 2.22 Å. The Bi(2)-O(6) bond length is 2.57 Å. The Bi(2)-O(7) bond length is 2.28 Å. The Bi(2)-O(8) bond length is 2.77 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Si(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Si(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Si(2), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(2), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Si(2), one Bi(1), and one Bi(2) atom.