U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TeSe(NO5)2 by Materials Project
Abstract
N2TeO6SeO4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, four SeO4 clusters, and four TeO6 clusters. In each SeO4 cluster, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Se6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Se6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Se6+ atom. In each TeO6 cluster, Te4+ is bonded in a distorted octahedral geometry to six O2- atoms. There is two shorter (1.94 Å) and four longer (1.95 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Te4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Te4+ atom. In the third O2- site, O2- is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-1203994
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; N-O-Se-Te; TeSe(NO5)2; crystal structure
- OSTI Identifier:
- 1653238
- DOI:
- https://doi.org/10.17188/1653238
Citation Formats
Materials Data on TeSe(NO5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1653238.
Materials Data on TeSe(NO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1653238
2020.
"Materials Data on TeSe(NO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1653238. https://www.osti.gov/servlets/purl/1653238. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1653238,
title = {Materials Data on TeSe(NO5)2 by Materials Project},
abstractNote = {N2TeO6SeO4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, four SeO4 clusters, and four TeO6 clusters. In each SeO4 cluster, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Se6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Se6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Se6+ atom. In each TeO6 cluster, Te4+ is bonded in a distorted octahedral geometry to six O2- atoms. There is two shorter (1.94 Å) and four longer (1.95 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Te4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Te4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Te4+ atom.},
doi = {10.17188/1653238},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}