LiFe1 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded in a distorted q6 geometry to four equivalent Li(1) and six equivalent Fe(1) atoms. Fe(1) is bonded to six equivalent Li(1) and six equivalent Fe(1) atoms to form a mixture of distorted edge, corner, and face-sharing FeLi6Fe6 cuboctahedra.
LiFe1 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded in a distorted q6 geometry to four equivalent Li(1) and six equivalent Fe(1) atoms. There are two shorter (2.28 Å) and two longer (2.38 Å) Li(1)-Li(1) bond lengths. There are two shorter (2.59 Å) and four longer (2.75 Å) Li(1)-Fe(1) bond lengths. Fe(1) is bonded to six equivalent Li(1) and six equivalent Fe(1) atoms to form a mixture of distorted edge, corner, and face-sharing FeLi6Fe6 cuboctahedra. There are two shorter (2.38 Å) and four longer (2.57 Å) Fe(1)-Fe(1) bond lengths.