Materials Data on Lu(HO)3 by Materials Project
Abstract
Lu(OH)3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Lu(OH)3 sheet oriented in the (1, 0, 0) direction. Lu3+ is bonded to six O2- atoms to form edge-sharing LuO6 octahedra. There are a spread of Lu–O bond distances ranging from 2.20–2.24 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Lu3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Lu3+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Lu3+ and one H1+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-756273
- 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; Lu(HO)3; H-Lu-O
- OSTI Identifier:
- 1290460
- DOI:
- https://doi.org/10.17188/1290460
Citation Formats
The Materials Project. Materials Data on Lu(HO)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290460.
The Materials Project. Materials Data on Lu(HO)3 by Materials Project. United States. doi:https://doi.org/10.17188/1290460
The Materials Project. 2020.
"Materials Data on Lu(HO)3 by Materials Project". United States. doi:https://doi.org/10.17188/1290460. https://www.osti.gov/servlets/purl/1290460. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1290460,
title = {Materials Data on Lu(HO)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu(OH)3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Lu(OH)3 sheet oriented in the (1, 0, 0) direction. Lu3+ is bonded to six O2- atoms to form edge-sharing LuO6 octahedra. There are a spread of Lu–O bond distances ranging from 2.20–2.24 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Lu3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Lu3+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Lu3+ and one H1+ atom.},
doi = {10.17188/1290460},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}