Materials Data on TbHO2 by Materials Project
Abstract
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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-504474
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; TbHO2; H-O-Tb
- OSTI Identifier:
- 1261749
- DOI:
- https://doi.org/10.17188/1261749
Citation Formats
The Materials Project. Materials Data on TbHO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1261749.
The Materials Project. Materials Data on TbHO2 by Materials Project. United States. doi:https://doi.org/10.17188/1261749
The Materials Project. 2020.
"Materials Data on TbHO2 by Materials Project". United States. doi:https://doi.org/10.17188/1261749. https://www.osti.gov/servlets/purl/1261749. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1261749,
title = {Materials Data on TbHO2 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1261749},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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