LiFeSiO4 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(2) and three equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Fe(1) and one Si(1) atom.
LiFeSiO4 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. All Li(1)-O(1) bond lengths are 1.90 Å. Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. The Fe(1)-O(2) bond length is 1.84 Å. All Fe(1)-O(1) bond lengths are 1.91 Å. Si(1) is bonded to one O(2) and three equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra. The Si(1)-O(2) bond length is 1.62 Å. All Si(1)-O(1) bond lengths are 1.65 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Fe(1) and one Si(1) atom.