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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Lu3Ge3Ir2 by Materials Project

Lu3Ir2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 11-coordinate geometry to four equivalent Ir and seven Ge atoms. There are a spread of Lu–Ir bond distances ranging from 2.93–3.24 Å. There are a spread of Lu–Ge bond distances ranging from 2.99–3.20 Å. In the second Lu site, Lu is bonded in a 9-coordinate geometry to four equivalent Ir and five Ge atoms. All Lu–Ir bond lengths are 3.04 Å. There are a spread of Lu–Ge bond distances ranging from 3.00–3.04 Å. Ir is bonded in a 10-coordinate geometry to six Lu and four Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.48–2.68 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Lu, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.69 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Lu and two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu5(Ge5Ir2)2 by Materials Project

Lu5Ir4Ge10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Lu–Ir bond lengths are 3.22 Å. There are eight shorter (2.94 Å) and four longer (3.35 Å) Lu–Ge bond lengths. In the second Lu site, Lu is bonded to four equivalent Ir and eight Ge atoms to form face-sharing LuGe8Ir4 cuboctahedra. All Lu–Ir bond lengths are 3.10 Å. There are a spread of Lu–Ge bond distances ranging from 2.92–3.09 Å. In the third Lu site, Lu is bonded in a 12-coordinate geometry to four equivalent Ir and ten Ge atoms. All Lu–Ir bond lengths are 3.31 Å. There are a spread of Lu–Ge bond distances ranging from 3.26–3.39 Å. Ir is bonded in a 10-coordinate geometry to five Lu and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.47–2.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Lu, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.43 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Lu, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Lu, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.84 Å.

36 MATERIALS SCIENCE↗