Materials Data on ThH6(NO5)2 by Materials Project
Abstract
ThH6(NO5)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two ThH6(NO5)2 ribbons oriented in the (0, 0, 1) direction. Th4+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Th–O bond distances ranging from 2.35–2.90 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 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 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a single-bondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1208149
- 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; ThH6(NO5)2; H-N-O-Th
- OSTI Identifier:
- 1684145
- DOI:
- https://doi.org/10.17188/1684145
Citation Formats
The Materials Project. Materials Data on ThH6(NO5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1684145.
The Materials Project. Materials Data on ThH6(NO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1684145
The Materials Project. 2020.
"Materials Data on ThH6(NO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1684145. https://www.osti.gov/servlets/purl/1684145. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1684145,
title = {Materials Data on ThH6(NO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ThH6(NO5)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two ThH6(NO5)2 ribbons oriented in the (0, 0, 1) direction. Th4+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Th–O bond distances ranging from 2.35–2.90 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 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 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Th4+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one Th4+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one H1+ atom.},
doi = {10.17188/1684145},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}