Materials Data on Sc15(In5Rh2)4 by Materials Project
Sc15(Rh2In5)4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are thirty inequivalent Sc sites. In the first Sc site, Sc is bonded in a 3-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.75 Å) and one longer (2.97 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.13–3.41 Å. In the second Sc site, Sc is bonded in a 2-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.74 Å) and one longer (2.99 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.13–3.41 Å. In the third Sc site, Sc is bonded in a 2-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.74 Å) and one longer (2.98 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.13–3.41 Å. In the fourth Sc site, Sc is bonded in a 2-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.75 Å) and one longer (2.99 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.11–3.40 Å. In the fifth Sc site, Sc is bonded in a 2-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.75 Å) and one longer (3.05 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.10–3.37 Å. In the sixth Sc site, Sc is bonded in a 2-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.74 Å) and one longer (3.10 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.10–3.38 Å. In the seventh Sc site, Sc is bonded in a 2-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.74 Å) and one longer (2.99 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.11–3.41 Å. In the eighth Sc site, Sc is bonded in a 2-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.74 Å) and one longer (2.99 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.12–3.40 Å. In the ninth Sc site, Sc is bonded in a 2-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.74 Å) and one longer (2.99 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.12–3.41 Å. In the tenth Sc site, Sc is bonded in a 3-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.79 Å) and one longer (2.98 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.12–3.38 Å. In the eleventh Sc site, Sc is bonded in a 2-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.75 Å) and one longer (3.01 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.14–3.40 Å. In the twelfth Sc site, Sc is bonded in a 2-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.72 Å) and one longer (3.00 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.13–3.42 Å. In the thirteenth Sc site, Sc is bonded in a 2-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.72 Å) and one longer (3.00 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.13–3.42 Å. In the fourteenth Sc site, Sc is bonded in a 2-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.72 Å) and one longer (3.00 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.12–3.42 Å. In the fifteenth Sc site, Sc is bonded in a 2-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.74 Å) and one longer (3.06 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.11–3.36 Å. In the sixteenth Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Rh and eight In atoms. Both Sc–Rh bond lengths are 2.73 Å. There are a spread of Sc–In bond distances ranging from 3.04–3.42 Å. In the seventeenth Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Rh and eight In atoms. Both Sc–Rh bond lengths are 2.74 Å. There are a spread of Sc–In bond distances ranging from 3.04–3.43 Å. In the eighteenth Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Rh and eight In atoms. Both Sc–Rh bond lengths are 2.74 Å. There are a spread of Sc–In bond distances ranging from 3.04–3.43 Å. In the nineteenth Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Rh and six In atoms. Both Sc–Rh bond lengths are 2.73 Å. There are a spread of Sc–In bond distances ranging from 3.04–3.45 Å. In the twentieth Sc site, Sc is bonded in a 2-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.78 Å) and one longer (3.04 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.12–3.40 Å. In the twenty-first Sc site, Sc is bonded in a 2-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.79 Å) and one longer (3.14 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.12–3.41 Å. In the twenty-second Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Rh and eight In atoms. Both Sc–Rh bond lengths are 2.74 Å. There are a spread of Sc–In bond distances ranging from 3.03–3.43 Å. In the twenty-third Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Rh and eight In atoms. Both Sc–Rh bond lengths are 2.74 Å. There are a spread of Sc–In bond distances ranging from 3.04–3.42 Å. In the twenty-fourth Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Rh and six In atoms. Both Sc–Rh bond lengths are 2.74 Å. There are a spread of Sc–In bond distances ranging from 3.11–3.42 Å. In the twenty-fifth Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Rh and eight In atoms. Both Sc–Rh bond lengths are 2.73 Å. There are a spread of Sc–In bond distances ranging from 3.06–3.40 Å. In the twenty-sixth Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Rh and eight In atoms. Both Sc–Rh bond lengths are 2.73 Å. There are a spread of Sc–In bond distances ranging from 3.07–3.42 Å. In the twenty-seventh Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Rh and eight In atoms. Both Sc–Rh bond lengths are 2.74 Å. There are a spread of Sc–In bond distances ranging from 3.04–3.42 Å. In the twenty-eighth Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Rh and eight In atoms. Both Sc–Rh bond lengths are 2.74 Å. There are a spread of Sc–In bond distances ranging from 3.04–3.42 Å. In the twenty-ninth Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Rh and six In atoms. Both Sc–Rh bond lengths are 2.74 Å. There are a spread of Sc–In bond distances ranging from 3.04–3.22 Å. In the thirtieth Sc site, Sc is bonded in a 2-coordinate geometry to three Rh and eight In atoms. There are two shorter (2.77 Å) and one longer (3.12 Å) Sc–Rh bond lengths. There are a spread of Sc–In bond distances ranging from 3.13–3.39 Å. There are eleven inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six Sc and three In atoms. There are a spread of Rh–In bond distances ranging from 2.88–2.96 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six Sc and three In atoms. There are one shorter (2.95 Å) and two longer (2.96 Å) Rh–In bond lengths. In the third Rh site, Rh is bonded in a 9-coordinate geometry to six Sc and three In atoms. There are one shorter (2.95 Å) and two longer (2.96 Å) Rh–In bond lengths. In the fourth Rh site, Rh is bonded in a 9-coordinate geometry to six Sc and three In atoms. There are one shorter (2.95 Å) and two longer (2.96 Å) Rh–In bond lengths. In the fifth Rh site, Rh is bonded in a 9-coordinate geometry to six Sc and three In atoms. There are a spread of Rh–In bond distances ranging from 2.87–2.94 Å. In the sixth Rh site, Rh is bonded in a 9-coordinate geometry to three Sc and six In atoms. There are a spread of Rh–In bond distances ranging from 2.70–2.73 Å. In the seventh Rh site, Rh is bonded in a 9-coordinate geometry to three Sc and six In atoms. There are two shorter (2.73 Å) and four longer (2.74 Å) Rh–In bond lengths. In the eighth Rh site, Rh is bonded in a 9-coordinate geometry to three Sc and six In atoms. All Rh–In bond lengths are 2.73 Å. In the ninth Rh site, Rh is bonded in a 9-coordinate geometry to three Sc and six In atoms. There are four shorter (2.73 Å) and two longer (2.74 Å) Rh–In bond lengths. In the tenth Rh site, Rh is bonded in a 9-coordinate geometry to three Sc and six In atoms. There are a spread of Rh–In bond distances ranging from 2.72–2.74 Å. In the eleventh Rh site, Rh is bonded in a 9-coordinate geometry to three Sc and six In atoms. All Rh–In bond lengths are 2.72 Å. There are twenty inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Sc, three Rh, and one In atom. The In–In bond length is 2.87 Å. In the second In site, In is bonded in a 1-coordinate geometry to six Sc, two Rh, and four In atoms. There are a spread of In–In bond distances ranging from 2.93–3.37 Å. In the third In site, In is bonded in a 1-coordinate geometry to six Sc, two Rh, and four In atoms. There are a spread of In–In bond distances ranging from 2.94–3.36 Å. In the fourth In site, In is bonded in a 1-coordinate geometry to six Sc, two Rh, and four In atoms. There are a spread of In–In bond distances ranging from 2.94–3.36 Å. In the fifth In site, In is bonded in a 1-coordinate geometry to six Sc, two Rh, and four In atoms. There are a spread of In–In bond distances ranging from 2.92–3.36 Å. In the sixth In site, In is bonded in a 1-coordinate geometry to six Sc, two Rh, and four In atoms. There are a spread of In–In bond distances ranging from 2.91–3.36 Å. In the seventh In site, In is bonded in a 1-coordinate geometry to six Sc, two Rh, and four In atoms. There are a spread of In–In bond distances ranging from 2.94–3.36 Å. In the eighth In site, In is bonded in a 1-coordinate geometry to six Sc, two Rh, and four In atoms. There are a spread of In–In bond distances ranging from 2.95–3.36 Å. In the ninth In site, In is bonded in a 1-coordinate geometry to three Sc, two Rh, and three In atoms. There are one shorter (2.95 Å) and one longer (3.38 Å) In–In bond lengths. In the tenth In site, In is bonded in a 10-coordinate geometry to six Sc, three Rh, and one In atom. The In–In bond length is 2.89 Å. In the eleventh In site, In is bonded in a 10-coordinate geometry to six Sc, three Rh, and one In atom. The In–In bond length is 2.89 Å. In the twelfth In site, In is bonded in a 1-coordinate geometry to six Sc, two Rh, and four In atoms. There are one shorter (2.96 Å) and one longer (3.26 Å) In–In bond lengths. In the thirteenth In site, In is bonded in a 1-coordinate geometry to six Sc, two Rh, and four In atoms. There are one shorter (2.96 Å) and one longer (3.26 Å) In–In bond lengths. In the fourteenth In site, In is bonded in a 1-coordinate geometry to six Sc, two Rh, and four In atoms. There are one shorter (2.96 Å) and one longer (3.26 Å) In–In bond lengths. In the fifteenth In site, In is bonded in a 1-coordinate geometry to six Sc, two Rh, and four In atoms. There are one shorter (2.93 Å) and one longer (3.25 Å) In–In bond lengths. In the sixteenth In site, In is bonded in a 9-coordinate geometry to six Sc and three In atoms. In the seventeenth In site, In is bonded in a 10-coordinate geometry to six Sc and four In atoms. The In–In bond length is 3.35 Å. In the eighteenth In site, In is bonded in a 10-coordinate geometry to six Sc and four In atoms. The In–In bond length is 3.35 Å. In the nineteenth In site, In is bonded in a 10-coordinate geometry to six Sc and four In atoms. The In–In bond length is 3.34 Å. In the twentieth In site, In is bonded in a 9-coordinate geometry to six Sc and three In atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1679232
- Report Number(s):
- mp-1221266
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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