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Title: Materials Data on Zr7Ni10 by Materials Project

Abstract

Zr7Ni10 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. there are five inequivalent Zr sites. In the first Zr site, Zr is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.72–2.79 Å. In the second Zr site, Zr is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.69–2.81 Å. In the third Zr site, Zr is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.75–2.79 Å. In the fourth Zr site, Zr is bonded in a 8-coordinate geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.60–2.74 Å. In the fifth Zr site, Zr is bonded in a distorted body-centered cubic geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.62–2.66 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to six Zr and one Ni atom. The Ni–Ni bond length is 2.66 Å. In the second Ni site, Ni is bondedmore » in a 11-coordinate geometry to six Zr and one Ni atom. The Ni–Ni bond length is 2.63 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to five Zr and five Ni atoms. There are two shorter (2.66 Å) and one longer (2.75 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded in a 6-coordinate geometry to six Zr and one Ni atom. In the fifth Ni site, Ni is bonded in a 6-coordinate geometry to six Zr and one Ni atom.« less

Publication Date:
Other Number(s):
mp-636525
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; Zr7Ni10; Ni-Zr
OSTI Identifier:
1279588
DOI:
https://doi.org/10.17188/1279588

Citation Formats

The Materials Project. Materials Data on Zr7Ni10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279588.
The Materials Project. Materials Data on Zr7Ni10 by Materials Project. United States. doi:https://doi.org/10.17188/1279588
The Materials Project. 2020. "Materials Data on Zr7Ni10 by Materials Project". United States. doi:https://doi.org/10.17188/1279588. https://www.osti.gov/servlets/purl/1279588. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1279588,
title = {Materials Data on Zr7Ni10 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr7Ni10 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. there are five inequivalent Zr sites. In the first Zr site, Zr is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.72–2.79 Å. In the second Zr site, Zr is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.69–2.81 Å. In the third Zr site, Zr is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.75–2.79 Å. In the fourth Zr site, Zr is bonded in a 8-coordinate geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.60–2.74 Å. In the fifth Zr site, Zr is bonded in a distorted body-centered cubic geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.62–2.66 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to six Zr and one Ni atom. The Ni–Ni bond length is 2.66 Å. In the second Ni site, Ni is bonded in a 11-coordinate geometry to six Zr and one Ni atom. The Ni–Ni bond length is 2.63 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to five Zr and five Ni atoms. There are two shorter (2.66 Å) and one longer (2.75 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded in a 6-coordinate geometry to six Zr and one Ni atom. In the fifth Ni site, Ni is bonded in a 6-coordinate geometry to six Zr and one Ni atom.},
doi = {10.17188/1279588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}