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Title: Materials Data on Hf7Ni10 by Materials Project

Abstract

Hf7Ni10 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. there are five inequivalent Hf sites. In the first Hf site, Hf is bonded in a body-centered cubic geometry to eight Ni atoms. There are a spread of Hf–Ni bond distances ranging from 2.59–2.62 Å. In the second Hf site, Hf is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Hf–Ni bond distances ranging from 2.72–2.76 Å. In the third Hf site, Hf is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Hf–Ni bond distances ranging from 2.71–2.76 Å. In the fourth Hf site, Hf is bonded in a 8-coordinate geometry to eight Ni atoms. There are a spread of Hf–Ni bond distances ranging from 2.60–2.71 Å. In the fifth Hf site, Hf is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Hf–Ni bond distances ranging from 2.65–2.79 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to six Hf and one Ni atom. The Ni–Ni bond length is 2.62 Å. In the second Ni site, Ni is bonded inmore » a 6-coordinate geometry to six Hf and one Ni atom. The Ni–Ni bond length is 2.61 Å. In the third Ni site, Ni is bonded in a 6-coordinate geometry to six Hf and one Ni atom. The Ni–Ni bond length is 2.59 Å. In the fourth Ni site, Ni is bonded in a 1-coordinate geometry to five Hf and five Ni atoms. There are one shorter (2.61 Å) and one longer (2.75 Å) Ni–Ni bond lengths. In the fifth Ni site, Ni is bonded in a 11-coordinate geometry to six Hf and one Ni atom.« less

Publication Date:
Other Number(s):
mp-1198091
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; Hf7Ni10; Hf-Ni
OSTI Identifier:
1729583
DOI:
https://doi.org/10.17188/1729583

Citation Formats

The Materials Project. Materials Data on Hf7Ni10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729583.
The Materials Project. Materials Data on Hf7Ni10 by Materials Project. United States. doi:https://doi.org/10.17188/1729583
The Materials Project. 2020. "Materials Data on Hf7Ni10 by Materials Project". United States. doi:https://doi.org/10.17188/1729583. https://www.osti.gov/servlets/purl/1729583. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1729583,
title = {Materials Data on Hf7Ni10 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf7Ni10 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. there are five inequivalent Hf sites. In the first Hf site, Hf is bonded in a body-centered cubic geometry to eight Ni atoms. There are a spread of Hf–Ni bond distances ranging from 2.59–2.62 Å. In the second Hf site, Hf is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Hf–Ni bond distances ranging from 2.72–2.76 Å. In the third Hf site, Hf is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Hf–Ni bond distances ranging from 2.71–2.76 Å. In the fourth Hf site, Hf is bonded in a 8-coordinate geometry to eight Ni atoms. There are a spread of Hf–Ni bond distances ranging from 2.60–2.71 Å. In the fifth Hf site, Hf is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Hf–Ni bond distances ranging from 2.65–2.79 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to six Hf and one Ni atom. The Ni–Ni bond length is 2.62 Å. In the second Ni site, Ni is bonded in a 6-coordinate geometry to six Hf and one Ni atom. The Ni–Ni bond length is 2.61 Å. In the third Ni site, Ni is bonded in a 6-coordinate geometry to six Hf and one Ni atom. The Ni–Ni bond length is 2.59 Å. In the fourth Ni site, Ni is bonded in a 1-coordinate geometry to five Hf and five Ni atoms. There are one shorter (2.61 Å) and one longer (2.75 Å) Ni–Ni bond lengths. In the fifth Ni site, Ni is bonded in a 11-coordinate geometry to six Hf and one Ni atom.},
doi = {10.17188/1729583},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}