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Title: Materials Data on AlSiP3 by Materials Project

Abstract

AlSiP3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four aluminum molecules and two SiP3 ribbons oriented in the (1, 0, 0) direction. In each SiP3 ribbon, Si4- is bonded to four P+0.33+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.25–2.29 Å. There are two inequivalent P+0.33+ sites. In the first P+0.33+ site, P+0.33+ is bonded in a water-like geometry to two equivalent Si4- atoms. In the second P+0.33+ site, P+0.33+ is bonded in a single-bond geometry to one Si4- atom.

Publication Date:
Other Number(s):
mp-5168
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; AlSiP3; Al-P-Si
OSTI Identifier:
1263121
DOI:
https://doi.org/10.17188/1263121

Citation Formats

The Materials Project. Materials Data on AlSiP3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263121.
The Materials Project. Materials Data on AlSiP3 by Materials Project. United States. doi:https://doi.org/10.17188/1263121
The Materials Project. 2020. "Materials Data on AlSiP3 by Materials Project". United States. doi:https://doi.org/10.17188/1263121. https://www.osti.gov/servlets/purl/1263121. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1263121,
title = {Materials Data on AlSiP3 by Materials Project},
author = {The Materials Project},
abstractNote = {AlSiP3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four aluminum molecules and two SiP3 ribbons oriented in the (1, 0, 0) direction. In each SiP3 ribbon, Si4- is bonded to four P+0.33+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.25–2.29 Å. There are two inequivalent P+0.33+ sites. In the first P+0.33+ site, P+0.33+ is bonded in a water-like geometry to two equivalent Si4- atoms. In the second P+0.33+ site, P+0.33+ is bonded in a single-bond geometry to one Si4- atom.},
doi = {10.17188/1263121},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}