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DOE OSTI2020

Materials Data on LiFeP by Materials Project

LiFeP is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five equivalent P3- atoms. There are one shorter (2.61 Å) and four longer (2.74 Å) Li–P bond lengths. Fe2+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing FeP4 tetrahedra. All Fe–P bond lengths are 2.21 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and four equivalent Fe2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiFeP by Materials Project

LiFeP crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Li1+ is bonded in a 10-coordinate geometry to five equivalent Fe2+ and five equivalent P3- atoms. There are one shorter (2.53 Å) and four longer (2.58 Å) Li–Fe bond lengths. There are four shorter (2.52 Å) and one longer (2.63 Å) Li–P bond lengths. Fe2+ is bonded in a 4-coordinate geometry to five equivalent Li1+ and four equivalent P3- atoms. All Fe–P bond lengths are 2.25 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and four equivalent Fe2+ atoms.

36 MATERIALS SCIENCE↗