LiSiBiO4 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-78°. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted BiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and corners with six equivalent Si(1)O4 tetrahedra. In the third Bi site, Bi(3) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Si(1), and one Bi(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Si(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Si(1), and one Bi(2) atom.
LiSiBiO4 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-78°. The Li(1)-O(1) bond length is 2.08 Å. The Li(1)-O(2) bond length is 1.88 Å. The Li(1)-O(3) bond length is 2.01 Å. The Li(1)-O(4) bond length is 2.02 Å. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-56°. The Si(1)-O(1) bond length is 1.67 Å. The Si(1)-O(2) bond length is 1.65 Å. The Si(1)-O(3) bond length is 1.65 Å. The Si(1)-O(4) bond length is 1.65 Å. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. All Bi(1)-O(2) bond lengths are 2.34 Å. All Bi(1)-O(3) bond lengths are 2.49 Å. In the second Bi site, Bi(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted BiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and corners with six equivalent Si(1)O4 tetrahedra. All Bi(2)-O(3) bond lengths are 2.64 Å. All Bi(2)-O(4) bond lengths are 2.27 Å. In the third Bi site, Bi(3) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. All Bi(3)-O(1) bond lengths are 2.19 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Si(1), and one Bi(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Si(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Si(1), and one Bi(2) atom.