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Title: Materials Data on Sc7P3 by Materials Project

Abstract

Sc7P3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 3-coordinate geometry to three equivalent P atoms. All Sc–P bond lengths are 2.66 Å. In the second Sc site, Sc is bonded in a 2-coordinate geometry to four equivalent P atoms. There are two shorter (2.71 Å) and two longer (3.05 Å) Sc–P bond lengths. In the third Sc site, Sc is bonded in a distorted T-shaped geometry to three equivalent P atoms. There are two shorter (2.64 Å) and one longer (2.71 Å) Sc–P bond lengths. P is bonded in a 6-coordinate geometry to eight Sc atoms.

Publication Date:
Other Number(s):
mp-1105778
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; Sc7P3; P-Sc
OSTI Identifier:
1707546
DOI:
https://doi.org/10.17188/1707546

Citation Formats

The Materials Project. Materials Data on Sc7P3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707546.
The Materials Project. Materials Data on Sc7P3 by Materials Project. United States. doi:https://doi.org/10.17188/1707546
The Materials Project. 2020. "Materials Data on Sc7P3 by Materials Project". United States. doi:https://doi.org/10.17188/1707546. https://www.osti.gov/servlets/purl/1707546. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1707546,
title = {Materials Data on Sc7P3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc7P3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 3-coordinate geometry to three equivalent P atoms. All Sc–P bond lengths are 2.66 Å. In the second Sc site, Sc is bonded in a 2-coordinate geometry to four equivalent P atoms. There are two shorter (2.71 Å) and two longer (3.05 Å) Sc–P bond lengths. In the third Sc site, Sc is bonded in a distorted T-shaped geometry to three equivalent P atoms. There are two shorter (2.64 Å) and one longer (2.71 Å) Sc–P bond lengths. P is bonded in a 6-coordinate geometry to eight Sc atoms.},
doi = {10.17188/1707546},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}