LiFeAs crystallizes in the tetragonal I4mm space group. Li(1) is bonded in a distorted q6 geometry to five equivalent Fe(1) and five equivalent As(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to five equivalent Li(1) and four equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to five equivalent Li(1) and four equivalent Fe(1) atoms.
LiFeAs crystallizes in the tetragonal I4mm space group. Li(1) is bonded in a distorted q6 geometry to five equivalent Fe(1) and five equivalent As(1) atoms. There are four shorter (2.57 Å) and one longer (2.58 Å) Li(1)-Fe(1) bond length. There are four shorter (2.56 Å) and one longer (2.59 Å) Li(1)-As(1) bond length. Fe(1) is bonded in a 9-coordinate geometry to five equivalent Li(1) and four equivalent As(1) atoms. All Fe(1)-As(1) bond lengths are 2.43 Å. As(1) is bonded in a 9-coordinate geometry to five equivalent Li(1) and four equivalent Fe(1) atoms.