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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Hf2In5 by Materials Project

Hf2In5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Hf is bonded to two equivalent Hf and ten In atoms to form a mixture of distorted edge, face, and corner-sharing HfHf2In10 cuboctahedra. Both Hf–Hf bond lengths are 3.08 Å. There are a spread of Hf–In bond distances ranging from 3.06–3.17 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to four equivalent Hf and six In atoms. There are two shorter (3.08 Å) and four longer (3.10 Å) In–In bond lengths. In the second In site, In is bonded in a 10-coordinate geometry to four equivalent Hf and six In atoms. There are a spread of In–In bond distances ranging from 3.08–3.39 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf3In4 by Materials Project

Hf3In4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 10-coordinate geometry to six Hf and four equivalent In atoms. There are four shorter (3.09 Å) and two longer (3.12 Å) Hf–Hf bond lengths. All Hf–In bond lengths are 3.07 Å. In the second Hf site, Hf is bonded to four Hf and eight equivalent In atoms to form a mixture of distorted corner, edge, and face-sharing HfHf4In8 cuboctahedra. Both Hf–Hf bond lengths are 3.12 Å. All Hf–In bond lengths are 3.13 Å. In is bonded in a 10-coordinate geometry to five Hf atoms.

36 MATERIALS SCIENCE↗