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Title: 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 » 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.« less

Authors:
Contributors:
Researcher:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1270170
Report Number(s):
mp-558126
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; LaH4S2NO8; H-La-N-O-S

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LaH4S2NO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270170.
Persson, Kristin, & Project, Materials. Materials Data on LaH4S2NO8 by Materials Project. United States. https://doi.org/10.17188/1270170
Persson, Kristin, and Project, Materials. Thu . "Materials Data on LaH4S2NO8 by Materials Project". United States. https://doi.org/10.17188/1270170. https://www.osti.gov/servlets/purl/1270170.
@article{osti_1270170,
title = {Materials Data on LaH4S2NO8 by Materials Project},
author = {Persson, Kristin and Project, Materials},
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},
url = {https://www.osti.gov/biblio/1270170}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}