U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sn3H4(NO5)2 by Materials Project
Abstract
Sn3H4(NO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Sn3H4(NO5)2 clusters. there are three inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.20–2.70 Å. In the second Sn4+ site, Sn4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.18–2.31 Å. In the third Sn4+ site, Sn4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.16–2.76 Å. There are two inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.27 Å) and one longer (1.28 Å) N–O bond length. In the second N2+ site, N2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond lengthmore »
- Publication Date:
- Other Number(s):
- mp-705520
- 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; H-N-O-Sn; Sn3H4(NO5)2; crystal structure
- OSTI Identifier:
- 1285983
- DOI:
- https://doi.org/10.17188/1285983
Citation Formats
Materials Data on Sn3H4(NO5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1285983.
Materials Data on Sn3H4(NO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1285983
2020.
"Materials Data on Sn3H4(NO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1285983. https://www.osti.gov/servlets/purl/1285983. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1285983,
title = {Materials Data on Sn3H4(NO5)2 by Materials Project},
abstractNote = {Sn3H4(NO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Sn3H4(NO5)2 clusters. there are three inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.20–2.70 Å. In the second Sn4+ site, Sn4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.18–2.31 Å. In the third Sn4+ site, Sn4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.16–2.76 Å. There are two inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.27 Å) and one longer (1.28 Å) N–O bond length. In the second N2+ site, N2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. There are four 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one N2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Sn4+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Sn4+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Sn4+ and one H1+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Sn4+ and one H1+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one Sn4+ and one N2+ atom.},
doi = {10.17188/1285983},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 04:00:00 UTC 2020},
month = {Thu Apr 30 04:00:00 UTC 2020}
}