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Title: Materials Data on TbHO2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1261749· OSTI ID:1261749

TbOOH crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to two equivalent H1+ and six O2- atoms. Both Tb–H bond lengths are 2.52 Å. There are a spread of Tb–O bond distances ranging from 2.27–2.37 Å. H1+ is bonded in a single-bond geometry to two equivalent Tb3+ and two O2- atoms. There is one shorter (0.99 Å) and one longer (1.75 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Tb3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb3+ and one H1+ atom.

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:
1261749
Report Number(s):
mp-504474
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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