DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on LaPS by Materials Project

Abstract

LaPS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (3.28 Å) and two longer (3.35 Å) La–P bond lengths. There are a spread of La–S bond distances ranging from 2.90–3.00 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (3.01 Å) and two longer (3.26 Å) La–P bond lengths. There are a spread of La–S bond distances ranging from 2.89–2.96 Å. P1- is bonded in a 6-coordinate geometry to four La3+ and two equivalent P1- atoms. There are one shorter (2.24 Å) and one longer (2.27 Å) P–P bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five La3+ atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. In the second S2- site, S2- is bonded to five La3+ atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-1191492
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LaPS; La-P-S
OSTI Identifier:
1684338
DOI:
https://doi.org/10.17188/1684338

Citation Formats

The Materials Project. Materials Data on LaPS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684338.
The Materials Project. Materials Data on LaPS by Materials Project. United States. doi:https://doi.org/10.17188/1684338
The Materials Project. 2020. "Materials Data on LaPS by Materials Project". United States. doi:https://doi.org/10.17188/1684338. https://www.osti.gov/servlets/purl/1684338. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1684338,
title = {Materials Data on LaPS by Materials Project},
author = {The Materials Project},
abstractNote = {LaPS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (3.28 Å) and two longer (3.35 Å) La–P bond lengths. There are a spread of La–S bond distances ranging from 2.90–3.00 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (3.01 Å) and two longer (3.26 Å) La–P bond lengths. There are a spread of La–S bond distances ranging from 2.89–2.96 Å. P1- is bonded in a 6-coordinate geometry to four La3+ and two equivalent P1- atoms. There are one shorter (2.24 Å) and one longer (2.27 Å) P–P bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five La3+ atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. In the second S2- site, S2- is bonded to five La3+ atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids.},
doi = {10.17188/1684338},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}