Materials Data on Hf2Co4P3 by Materials Project
Hf2Co4P3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Hf sites. In the first Hf site, Hf is bonded in a 8-coordinate geometry to ten Co and six P atoms. There are a spread of Hf–Co bond distances ranging from 2.79–3.22 Å. There are two shorter (2.73 Å) and four longer (2.79 Å) Hf–P bond lengths. In the second Hf site, Hf is bonded in a 5-coordinate geometry to eight Co and five P atoms. There are a spread of Hf–Co bond distances ranging from 2.69–2.79 Å. There are one shorter (2.54 Å) and four longer (2.63 Å) Hf–P bond lengths. In the third Hf site, Hf is bonded in a 6-coordinate geometry to nine Co and six equivalent P atoms. There are six shorter (2.99 Å) and three longer (3.07 Å) Hf–Co bond lengths. All Hf–P bond lengths are 2.77 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 4-coordinate geometry to four Hf and four P atoms. There are one shorter (2.18 Å) and three longer (2.28 Å) Co–P bond lengths. In the second Co site, Co is bonded in a 4-coordinate geometry to four Hf and four P atoms. There are two shorter (2.20 Å) and two longer (2.30 Å) Co–P bond lengths. In the third Co site, Co is bonded in a 4-coordinate geometry to five Hf and four P atoms. There are a spread of Co–P bond distances ranging from 2.20–2.42 Å. In the fourth Co site, Co is bonded in a distorted trigonal planar geometry to six equivalent Hf and three equivalent P atoms. All Co–P bond lengths are 2.12 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three Hf and six Co atoms. In the second P site, P is bonded in a 9-coordinate geometry to four Hf and five Co atoms. In the third P site, P is bonded in a 9-coordinate geometry to four equivalent Hf and five Co atoms.