Li4Mn3P3O12F crystallizes in the cubic P-43n space group. Li(1) is bonded to three equivalent O(1) and one F(1) atom to form LiO3F tetrahedra that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. Mn(1) is bonded to four equivalent O(1) atoms to form MnO4 tetrahedra that share corners with four equivalent Li(1)O3F tetrahedra and 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 Li(1)O3F tetrahedra and corners with four equivalent Mn(1)O4 tetrahedra. O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. F(1) is bonded in a tetrahedral geometry to four equivalent Li(1) atoms.
Li4Mn3P3O12F crystallizes in the cubic P-43n space group. Li(1) is bonded to three equivalent O(1) and one F(1) atom to form LiO3F tetrahedra that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. All Li(1)-O(1) bond lengths are 2.08 Å. The Li(1)-F(1) bond length is 2.10 Å. Mn(1) is bonded to four equivalent O(1) atoms to form MnO4 tetrahedra that share corners with four equivalent Li(1)O3F tetrahedra and corners with four equivalent P(1)O4 tetrahedra. All Mn(1)-O(1) bond lengths are 2.07 Å. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Li(1)O3F tetrahedra and corners with four equivalent Mn(1)O4 tetrahedra. All P(1)-O(1) bond lengths are 1.56 Å. O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. F(1) is bonded in a tetrahedral geometry to four equivalent Li(1) atoms.