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Title: Materials Data on K2Mn(PS3)2 by Materials Project

Abstract

K2Mn(PS3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.29–3.63 Å. Mn2+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Mn–S bond distances ranging from 2.60–2.69 Å. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All P–S bond lengths are 2.03 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent K1+, one Mn2+, and one P4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Mn2+, and one P4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Mn2+, and one P4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-542638
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; K2Mn(PS3)2; K-Mn-P-S
OSTI Identifier:
1266615
DOI:
10.17188/1266615

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2Mn(PS3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266615.
Persson, Kristin, & Project, Materials. Materials Data on K2Mn(PS3)2 by Materials Project. United States. doi:10.17188/1266615.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K2Mn(PS3)2 by Materials Project". United States. doi:10.17188/1266615. https://www.osti.gov/servlets/purl/1266615. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1266615,
title = {Materials Data on K2Mn(PS3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K2Mn(PS3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.29–3.63 Å. Mn2+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Mn–S bond distances ranging from 2.60–2.69 Å. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All P–S bond lengths are 2.03 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent K1+, one Mn2+, and one P4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Mn2+, and one P4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Mn2+, and one P4+ atom.},
doi = {10.17188/1266615},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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