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Title: Materials Data on Ta3P by Materials Project

Abstract

Ta3P crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. There are one shorter (2.57 Å) and one longer (2.59 Å) Ta–P bond lengths. In the second Ta site, Ta is bonded in a 4-coordinate geometry to four equivalent P atoms. There are a spread of Ta–P bond distances ranging from 2.58–2.61 Å. In the third Ta site, Ta is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. There are one shorter (2.57 Å) and one longer (2.60 Å) Ta–P bond lengths. P is bonded in a 8-coordinate geometry to eight Ta atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-504502
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; Ta3P; P-Ta
OSTI Identifier:
1261755
DOI:
10.17188/1261755

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ta3P by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1261755.
Persson, Kristin, & Project, Materials. Materials Data on Ta3P by Materials Project. United States. doi:10.17188/1261755.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ta3P by Materials Project". United States. doi:10.17188/1261755. https://www.osti.gov/servlets/purl/1261755. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1261755,
title = {Materials Data on Ta3P by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ta3P crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. There are one shorter (2.57 Å) and one longer (2.59 Å) Ta–P bond lengths. In the second Ta site, Ta is bonded in a 4-coordinate geometry to four equivalent P atoms. There are a spread of Ta–P bond distances ranging from 2.58–2.61 Å. In the third Ta site, Ta is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. There are one shorter (2.57 Å) and one longer (2.60 Å) Ta–P bond lengths. P is bonded in a 8-coordinate geometry to eight Ta atoms.},
doi = {10.17188/1261755},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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