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Title: Materials Data on YB4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1279618· OSTI ID:1279618

YB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Y is bonded in a 4-coordinate geometry to eighteen B atoms. There are a spread of Y–B bond distances ranging from 2.73–3.07 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to four equivalent Y and five B atoms. There is one shorter (1.64 Å) and four longer (1.75 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent Y and five B atoms. There is one shorter (1.72 Å) and two longer (1.81 Å) B–B bond length. In the third B site, B is bonded in a distorted trigonal planar geometry to six equivalent Y and three B atoms. The B–B bond length is 1.75 Å.

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:
1279618
Report Number(s):
mp-637
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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