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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaIn5Co by Materials Project

LaCoIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. La is bonded to twelve In atoms to form a mixture of face and corner-sharing LaIn12 cuboctahedra. There are four shorter (3.30 Å) and eight longer (3.35 Å) La–In bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Co–In bond lengths are 2.75 Å. There are two inequivalent In sites. In the first In site, In is bonded in a distorted square co-planar geometry to four equivalent La and eight equivalent In atoms. All In–In bond lengths are 3.35 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent La, two equivalent Co, and seven In atoms. There are one shorter (2.89 Å) and four longer (3.30 Å) In–In bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La6InCo13 by Materials Project

La6Co13In crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to four Co and two equivalent In atoms. There are a spread of La–Co bond distances ranging from 2.89–3.33 Å. Both La–In bond lengths are 3.44 Å. In the second La site, La is bonded in a 5-coordinate geometry to twelve Co and one In atom. There are a spread of La–Co bond distances ranging from 2.95–3.26 Å. The La–In bond length is 3.47 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent La and ten Co atoms to form CoLa2Co10 cuboctahedra that share corners with eight CoLa2Co10 cuboctahedra, edges with four equivalent CoLa3Co9 cuboctahedra, and faces with twenty-three CoLa2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.54 Å. In the second Co site, Co is bonded to five La and seven Co atoms to form a mixture of distorted corner and face-sharing CoLa5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.41–2.58 Å. In the third Co site, Co is bonded to twelve Co atoms to form a mixture of corner and face-sharing CoCo12 cuboctahedra. All Co–Co bond lengths are 2.40 Å. In the fourth Co site, Co is bonded to three La and nine Co atoms to form distorted CoLa3Co9 cuboctahedra that share corners with twelve CoLa3Co9 cuboctahedra, edges with four equivalent CoLa2Co10 cuboctahedra, and faces with twenty CoLa2Co10 cuboctahedra. The Co–Co bond length is 2.58 Å. In is bonded in a distorted q6 geometry to ten La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La18In3Co28 by Materials Project

La18Co28In3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to sixteen Co atoms. There are a spread of La–Co bond distances ranging from 3.00–3.22 Å. In the second La site, La is bonded in a 6-coordinate geometry to six Co and two equivalent In atoms. There are four shorter (2.90 Å) and two longer (3.08 Å) La–Co bond lengths. Both La–In bond lengths are 3.75 Å. In the third La site, La is bonded in a 7-coordinate geometry to six Co and two In atoms. There are a spread of La–Co bond distances ranging from 2.93–2.97 Å. There are one shorter (3.48 Å) and one longer (4.06 Å) La–In bond lengths. In the fourth La site, La is bonded in a 7-coordinate geometry to six Co and one In atom. There are four shorter (2.88 Å) and two longer (2.97 Å) La–Co bond lengths. The La–In bond length is 3.58 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Co atoms. All Co–Co bond lengths are 2.40 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to five La and five Co atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.47 Å. In the third Co site, Co is bonded in a 10-coordinate geometry to four La and six Co atoms. Both Co–Co bond lengths are 2.59 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 6-coordinate geometry to twelve La and two equivalent In atoms. Both In–In bond lengths are 3.21 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight La and two In atoms. The In–In bond length is 3.12 Å.

36 MATERIALS SCIENCE↗