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

Abstract

Al(PS3)2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one Al(PS3)2 sheet oriented in the (0, 0, 1) direction. Al3+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Al–S bond distances ranging from 2.44–2.48 Å. P+4.50+ 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 water-like geometry to one Al3+ and one P+4.50+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Al3+ and one P+4.50+ atom. In the third S2- site, S2- is bonded in a water-like geometry to one Al3+ and one P+4.50+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1229103
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; Al(PS3)2; Al-P-S
OSTI Identifier:
1681734
DOI:
https://doi.org/10.17188/1681734

Citation Formats

The Materials Project. Materials Data on Al(PS3)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1681734.
The Materials Project. Materials Data on Al(PS3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1681734
The Materials Project. 2019. "Materials Data on Al(PS3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1681734. https://www.osti.gov/servlets/purl/1681734. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1681734,
title = {Materials Data on Al(PS3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Al(PS3)2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one Al(PS3)2 sheet oriented in the (0, 0, 1) direction. Al3+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Al–S bond distances ranging from 2.44–2.48 Å. P+4.50+ 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 water-like geometry to one Al3+ and one P+4.50+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Al3+ and one P+4.50+ atom. In the third S2- site, S2- is bonded in a water-like geometry to one Al3+ and one P+4.50+ atom.},
doi = {10.17188/1681734},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}