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Title: Materials Data on HfPRu by Materials Project

Abstract

HfRuP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Ru and five P atoms. There are two shorter (2.88 Å) and four longer (3.01 Å) Hf–Ru bond lengths. There are one shorter (2.68 Å) and four longer (2.71 Å) Hf–P bond lengths. Ru is bonded to six equivalent Hf, two equivalent Ru, and four P atoms to form a mixture of distorted corner, edge, and face-sharing RuHf6P4Ru2 cuboctahedra. Both Ru–Ru bond lengths are 2.75 Å. All Ru–P bond lengths are 2.47 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ru atoms.

Publication Date:
Other Number(s):
mp-15963
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; HfPRu; Hf-P-Ru
OSTI Identifier:
1191475
DOI:
10.17188/1191475

Citation Formats

The Materials Project. Materials Data on HfPRu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191475.
The Materials Project. Materials Data on HfPRu by Materials Project. United States. doi:10.17188/1191475.
The Materials Project. 2020. "Materials Data on HfPRu by Materials Project". United States. doi:10.17188/1191475. https://www.osti.gov/servlets/purl/1191475. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1191475,
title = {Materials Data on HfPRu by Materials Project},
author = {The Materials Project},
abstractNote = {HfRuP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Ru and five P atoms. There are two shorter (2.88 Å) and four longer (3.01 Å) Hf–Ru bond lengths. There are one shorter (2.68 Å) and four longer (2.71 Å) Hf–P bond lengths. Ru is bonded to six equivalent Hf, two equivalent Ru, and four P atoms to form a mixture of distorted corner, edge, and face-sharing RuHf6P4Ru2 cuboctahedra. Both Ru–Ru bond lengths are 2.75 Å. All Ru–P bond lengths are 2.47 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ru atoms.},
doi = {10.17188/1191475},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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