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Title: Materials Data on Sn5(BRh3)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1204488· OSTI ID:1204488

Sn5(Rh3B)2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Rh is bonded in a 7-coordinate geometry to two B and five Sn atoms. There are one shorter (2.18 Å) and one longer (2.20 Å) Rh–B bond lengths. There are a spread of Rh–Sn bond distances ranging from 2.71–2.90 Å. There are two inequivalent B sites. In the first B site, B is bonded in a distorted pentagonal pyramidal geometry to six equivalent Rh atoms. In the second B site, B is bonded in a 6-coordinate geometry to six equivalent Rh and three equivalent Sn atoms. All B–Sn bond lengths are 2.70 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to six equivalent Rh and one B atom. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Rh 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:
1204488
Report Number(s):
mp-30060
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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