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Title: Materials Data on Zr6Ga16Os7 by Materials Project

Abstract

Zr6Os7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Os and eight Ga atoms. All Zr–Os bond lengths are 3.14 Å. There are four shorter (2.84 Å) and four longer (2.93 Å) Zr–Ga bond lengths. There are two inequivalent Os sites. In the first Os site, Os is bonded to four equivalent Zr and eight Ga atoms to form a mixture of distorted face and corner-sharing OsZr4Ga8 cuboctahedra. There are four shorter (2.56 Å) and four longer (2.71 Å) Os–Ga bond lengths. In the second Os site, Os is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Os–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Zr and three equivalent Os atoms. In the second Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Zr and four Os atoms.

Publication Date:
Other Number(s):
mp-1194111
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; Zr6Ga16Os7; Ga-Os-Zr
OSTI Identifier:
1679581
DOI:
https://doi.org/10.17188/1679581

Citation Formats

The Materials Project. Materials Data on Zr6Ga16Os7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679581.
The Materials Project. Materials Data on Zr6Ga16Os7 by Materials Project. United States. doi:https://doi.org/10.17188/1679581
The Materials Project. 2020. "Materials Data on Zr6Ga16Os7 by Materials Project". United States. doi:https://doi.org/10.17188/1679581. https://www.osti.gov/servlets/purl/1679581. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1679581,
title = {Materials Data on Zr6Ga16Os7 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr6Os7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Os and eight Ga atoms. All Zr–Os bond lengths are 3.14 Å. There are four shorter (2.84 Å) and four longer (2.93 Å) Zr–Ga bond lengths. There are two inequivalent Os sites. In the first Os site, Os is bonded to four equivalent Zr and eight Ga atoms to form a mixture of distorted face and corner-sharing OsZr4Ga8 cuboctahedra. There are four shorter (2.56 Å) and four longer (2.71 Å) Os–Ga bond lengths. In the second Os site, Os is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Os–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Zr and three equivalent Os atoms. In the second Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Zr and four Os atoms.},
doi = {10.17188/1679581},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}