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Title: Materials Data on TbB4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274301· OSTI ID:1274301

TbB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to eighteen B atoms. There are a spread of Tb–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 Tb 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 3-coordinate geometry to six equivalent Tb and three B atoms. There is two shorter (1.72 Å) and one longer (1.76 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Tb and five B atoms. Both B–B bond lengths are 1.81 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:
1274301
Report Number(s):
mp-568225
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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