U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaH2SNO7 by Materials Project
Abstract
LaNH2SO7 crystallizes in the tetragonal P4_1 space group. The structure is three-dimensional. La3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of La–O bond distances ranging from 2.36–2.66 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.29 Å) N–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.66 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.70 Å) H–O bond length. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.61 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one La3+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one La3+ and one N3+ atom. Inmore »
- Publication Date:
- Other Number(s):
- mp-1203814
- 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-La-N-O-S; LaH2SNO7; crystal structure
- OSTI Identifier:
- 1676303
- DOI:
- https://doi.org/10.17188/1676303
Citation Formats
Materials Data on LaH2SNO7 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1676303.
Materials Data on LaH2SNO7 by Materials Project. United States. doi:https://doi.org/10.17188/1676303
2019.
"Materials Data on LaH2SNO7 by Materials Project". United States. doi:https://doi.org/10.17188/1676303. https://www.osti.gov/servlets/purl/1676303. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1676303,
title = {Materials Data on LaH2SNO7 by Materials Project},
abstractNote = {LaNH2SO7 crystallizes in the tetragonal P4_1 space group. The structure is three-dimensional. La3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of La–O bond distances ranging from 2.36–2.66 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.29 Å) N–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.66 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.70 Å) H–O bond length. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.61 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one La3+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one La3+ and one N3+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one N3+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one La3+ and one S6+ atom.},
doi = {10.17188/1676303},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}