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Title: Materials Data on HfMoP by Materials Project

Abstract

HfMoP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Mo and five P atoms. There are two shorter (2.93 Å) and four longer (2.98 Å) Hf–Mo bond lengths. There are four shorter (2.71 Å) and one longer (2.80 Å) Hf–P bond lengths. Mo is bonded in a 10-coordinate geometry to six equivalent Hf and four P atoms. There are two shorter (2.45 Å) and two longer (2.63 Å) Mo–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Mo atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Mo atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7032
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; HfMoP; Hf-Mo-P
OSTI Identifier:
1285594
DOI:
10.17188/1285594

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on HfMoP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285594.
Persson, Kristin, & Project, Materials. Materials Data on HfMoP by Materials Project. United States. doi:10.17188/1285594.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on HfMoP by Materials Project". United States. doi:10.17188/1285594. https://www.osti.gov/servlets/purl/1285594. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1285594,
title = {Materials Data on HfMoP by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {HfMoP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Mo and five P atoms. There are two shorter (2.93 Å) and four longer (2.98 Å) Hf–Mo bond lengths. There are four shorter (2.71 Å) and one longer (2.80 Å) Hf–P bond lengths. Mo is bonded in a 10-coordinate geometry to six equivalent Hf and four P atoms. There are two shorter (2.45 Å) and two longer (2.63 Å) Mo–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Mo atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Mo atoms.},
doi = {10.17188/1285594},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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