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Title: Materials Data on PrSiP3 by Materials Project

Abstract

PrSiP2P crystallizes in the orthorhombic Pna2_1 space group. The structure is two-dimensional and consists of eight phosphine molecules; eight praseodymium molecules; and two SiP2 sheets oriented in the (0, 0, 1) direction. In each SiP2 sheet, there are two inequivalent Si4- sites. In the first Si4- site, 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 2.20–2.26 Å. In the second Si4- site, 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 2.21–2.28 Å. There are four inequivalent P+0.33+ sites. In the first P+0.33+ site, P+0.33+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. In the second P+0.33+ site, P+0.33+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. In the third P+0.33+ site, P+0.33+ is bonded in a single-bond geometry to one Si4- atom. In the fourth P+0.33+ site, P+0.33+ is bonded in a single-bond geometry to one Si4- atom.

Publication Date:
Other Number(s):
mp-1200190
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; PrSiP3; P-Pr-Si
OSTI Identifier:
1747276
DOI:
https://doi.org/10.17188/1747276

Citation Formats

The Materials Project. Materials Data on PrSiP3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747276.
The Materials Project. Materials Data on PrSiP3 by Materials Project. United States. doi:https://doi.org/10.17188/1747276
The Materials Project. 2020. "Materials Data on PrSiP3 by Materials Project". United States. doi:https://doi.org/10.17188/1747276. https://www.osti.gov/servlets/purl/1747276. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1747276,
title = {Materials Data on PrSiP3 by Materials Project},
author = {The Materials Project},
abstractNote = {PrSiP2P crystallizes in the orthorhombic Pna2_1 space group. The structure is two-dimensional and consists of eight phosphine molecules; eight praseodymium molecules; and two SiP2 sheets oriented in the (0, 0, 1) direction. In each SiP2 sheet, there are two inequivalent Si4- sites. In the first Si4- site, 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 2.20–2.26 Å. In the second Si4- site, 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 2.21–2.28 Å. There are four inequivalent P+0.33+ sites. In the first P+0.33+ site, P+0.33+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. In the second P+0.33+ site, P+0.33+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. In the third P+0.33+ site, P+0.33+ is bonded in a single-bond geometry to one Si4- atom. In the fourth P+0.33+ site, P+0.33+ is bonded in a single-bond geometry to one Si4- atom.},
doi = {10.17188/1747276},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}