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Title: Materials Data on K2LaP2S7 by Materials Project

Abstract

K2LaP2S7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of K–S bond distances ranging from 3.24–3.98 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of K–S bond distances ranging from 3.28–3.81 Å. La2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.93–3.18 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. In the second P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.02 Å) and two longer (2.04 Å) P–S bond lengths. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three K1+, one La2+, and one P5+ atom. In the second S2- site, S2- is bonded in a 1-coordinatemore » geometry to two K1+, one La2+, and one P5+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three K1+, one La2+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to three K1+, one La2+, and one P5+ atom. In the fifth S2- site, S2- is bonded in a 1-coordinate geometry to three K1+, one La2+, and one P5+ atom. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to one K1+, two equivalent La2+, and one P5+ atom. In the seventh S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent K1+, one La2+, and one P5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-542081
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K2LaP2S7; K-La-P-S
OSTI Identifier:
1266385
DOI:
https://doi.org/10.17188/1266385

Citation Formats

The Materials Project. Materials Data on K2LaP2S7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266385.
The Materials Project. Materials Data on K2LaP2S7 by Materials Project. United States. doi:https://doi.org/10.17188/1266385
The Materials Project. 2020. "Materials Data on K2LaP2S7 by Materials Project". United States. doi:https://doi.org/10.17188/1266385. https://www.osti.gov/servlets/purl/1266385. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1266385,
title = {Materials Data on K2LaP2S7 by Materials Project},
author = {The Materials Project},
abstractNote = {K2LaP2S7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of K–S bond distances ranging from 3.24–3.98 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of K–S bond distances ranging from 3.28–3.81 Å. La2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.93–3.18 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. In the second P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.02 Å) and two longer (2.04 Å) P–S bond lengths. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three K1+, one La2+, and one P5+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to two K1+, one La2+, and one P5+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three K1+, one La2+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to three K1+, one La2+, and one P5+ atom. In the fifth S2- site, S2- is bonded in a 1-coordinate geometry to three K1+, one La2+, and one P5+ atom. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to one K1+, two equivalent La2+, and one P5+ atom. In the seventh S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent K1+, one La2+, and one P5+ atom.},
doi = {10.17188/1266385},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}