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Title: Materials Data on YCBr by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1280298· OSTI ID:1280298

YCBr crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one YCBr sheet oriented in the (0, 0, 1) direction. Y3+ is bonded in a 8-coordinate geometry to five equivalent C2- and three equivalent Br1- atoms. There are a spread of Y–C bond distances ranging from 2.34–2.65 Å. There are two shorter (2.91 Å) and one longer (3.08 Å) Y–Br bond lengths. C2- is bonded in a 6-coordinate geometry to five equivalent Y3+ and one C2- atom. The C–C bond length is 1.34 Å. Br1- is bonded in a 3-coordinate geometry to three equivalent Y3+ 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:
1280298
Report Number(s):
mp-643367
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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