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Title: Materials Data on SiP2 by Materials Project

Abstract

SiP2 crystallizes in the orthorhombic Pbam space group. The structure is two-dimensional and consists of two SiP2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four P2+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.25–2.28 Å. In the second Si4- site, Si4- is bonded to four P2+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.26–2.34 Å. There are four inequivalent P2+ sites. In the first P2+ site, P2+ is bonded in a distorted T-shaped geometry to three Si4- atoms. In the second P2+ site, P2+ is bonded in a single-bond geometry to one Si4- atom. In the third P2+ site, P2+ is bonded in a single-bond geometry to one Si4- atom. In the fourth P2+ site, P2+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms.

Authors:
Publication Date:
Other Number(s):
mp-9996
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; SiP2; P-Si
OSTI Identifier:
1317615
DOI:
https://doi.org/10.17188/1317615

Citation Formats

The Materials Project. Materials Data on SiP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317615.
The Materials Project. Materials Data on SiP2 by Materials Project. United States. doi:https://doi.org/10.17188/1317615
The Materials Project. 2020. "Materials Data on SiP2 by Materials Project". United States. doi:https://doi.org/10.17188/1317615. https://www.osti.gov/servlets/purl/1317615. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1317615,
title = {Materials Data on SiP2 by Materials Project},
author = {The Materials Project},
abstractNote = {SiP2 crystallizes in the orthorhombic Pbam space group. The structure is two-dimensional and consists of two SiP2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four P2+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.25–2.28 Å. In the second Si4- site, Si4- is bonded to four P2+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.26–2.34 Å. There are four inequivalent P2+ sites. In the first P2+ site, P2+ is bonded in a distorted T-shaped geometry to three Si4- atoms. In the second P2+ site, P2+ is bonded in a single-bond geometry to one Si4- atom. In the third P2+ site, P2+ is bonded in a single-bond geometry to one Si4- atom. In the fourth P2+ site, P2+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms.},
doi = {10.17188/1317615},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}