LiFePO4 crystallizes in the hexagonal P6_222 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Fe(1) is bonded to four equivalent O(1) atoms to form FeO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra. O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one P(1) atom.
LiFePO4 crystallizes in the hexagonal P6_222 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Li(1)-O(1) bond lengths are 2.04 Å. Fe(1) is bonded to four equivalent O(1) atoms to form FeO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. All Fe(1)-O(1) bond lengths are 2.00 Å. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra. All P(1)-O(1) bond lengths are 1.55 Å. O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one P(1) atom.