U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaH4S2NO8 by Materials Project
Abstract
La(SO4)2NH4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional and consists of two ammonium molecules and one La(SO4)2 framework. In the La(SO4)2 framework, La3+ is bonded in a 7-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.97 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a tetrahedral geometry to four O2- atoms. All S–O bond lengths are 1.49 Å. In the second S2+ site, S2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one La3+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one La3+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one La3+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+ and one S2+ atom. In the fifth O2- site, O2-more »
- Publication Date:
- Other Number(s):
- mp-558126
- 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; LaH4S2NO8; crystal structure
- OSTI Identifier:
- 1270170
- DOI:
- https://doi.org/10.17188/1270170
Citation Formats
Materials Data on LaH4S2NO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270170.
Materials Data on LaH4S2NO8 by Materials Project. United States. doi:https://doi.org/10.17188/1270170
2020.
"Materials Data on LaH4S2NO8 by Materials Project". United States. doi:https://doi.org/10.17188/1270170. https://www.osti.gov/servlets/purl/1270170. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1270170,
title = {Materials Data on LaH4S2NO8 by Materials Project},
abstractNote = {La(SO4)2NH4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional and consists of two ammonium molecules and one La(SO4)2 framework. In the La(SO4)2 framework, La3+ is bonded in a 7-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.97 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a tetrahedral geometry to four O2- atoms. All S–O bond lengths are 1.49 Å. In the second S2+ site, S2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one La3+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one La3+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one La3+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one La3+ and one S2+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to two equivalent La3+ and one S2+ atom.},
doi = {10.17188/1270170},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}