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Title: Materials Data on Y4OsBr4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1202807· OSTI ID:1202807

Y4OsBr4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to two equivalent Os and four Br atoms to form a mixture of distorted edge, face, and corner-sharing YOs2Br4 pentagonal pyramids. There are one shorter (2.91 Å) and one longer (2.92 Å) Y–Os bond lengths. There are a spread of Y–Br bond distances ranging from 2.99–3.19 Å. In the second Y site, Y is bonded to two equivalent Os and four Br atoms to form a mixture of distorted edge, face, and corner-sharing YOs2Br4 pentagonal pyramids. There are one shorter (2.91 Å) and one longer (2.92 Å) Y–Os bond lengths. There are a spread of Y–Br bond distances ranging from 2.97–3.17 Å. Os is bonded in a 8-coordinate geometry to eight Y atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to four Y atoms. In the second Br site, Br is bonded in a 4-coordinate geometry to four Y 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:
1202807
Report Number(s):
mp-28744
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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