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Title: Materials Data on Sc3P2 by Materials Project

Abstract

Sc3P2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sc2+ sites. In the first Sc2+ site, Sc2+ is bonded to five P3- atoms to form a mixture of face, edge, and corner-sharing ScP5 square pyramids. There are a spread of Sc–P bond distances ranging from 2.61–2.75 Å. In the second Sc2+ site, Sc2+ is bonded to five P3- atoms to form a mixture of face, edge, and corner-sharing ScP5 square pyramids. There are a spread of Sc–P bond distances ranging from 2.60–2.78 Å. In the third Sc2+ site, Sc2+ is bonded to five P3- atoms to form a mixture of distorted edge and corner-sharing ScP5 square pyramids. There are a spread of Sc–P bond distances ranging from 2.65–3.00 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to seven Sc2+ atoms to form distorted edge-sharing PSc7 pentagonal bipyramids. In the second P3- site, P3- is bonded in a 8-coordinate geometry to eight Sc2+ atoms.

Publication Date:
Other Number(s):
mp-22600
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; Sc3P2; P-Sc
OSTI Identifier:
1198814
DOI:
10.17188/1198814

Citation Formats

The Materials Project. Materials Data on Sc3P2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198814.
The Materials Project. Materials Data on Sc3P2 by Materials Project. United States. doi:10.17188/1198814.
The Materials Project. 2020. "Materials Data on Sc3P2 by Materials Project". United States. doi:10.17188/1198814. https://www.osti.gov/servlets/purl/1198814. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1198814,
title = {Materials Data on Sc3P2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc3P2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sc2+ sites. In the first Sc2+ site, Sc2+ is bonded to five P3- atoms to form a mixture of face, edge, and corner-sharing ScP5 square pyramids. There are a spread of Sc–P bond distances ranging from 2.61–2.75 Å. In the second Sc2+ site, Sc2+ is bonded to five P3- atoms to form a mixture of face, edge, and corner-sharing ScP5 square pyramids. There are a spread of Sc–P bond distances ranging from 2.60–2.78 Å. In the third Sc2+ site, Sc2+ is bonded to five P3- atoms to form a mixture of distorted edge and corner-sharing ScP5 square pyramids. There are a spread of Sc–P bond distances ranging from 2.65–3.00 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to seven Sc2+ atoms to form distorted edge-sharing PSc7 pentagonal bipyramids. In the second P3- site, P3- is bonded in a 8-coordinate geometry to eight Sc2+ atoms.},
doi = {10.17188/1198814},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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