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Title: Materials Data on Ti6Ga16Ru7 by Materials Project

Abstract

Ti6Ru7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ru and eight Ga atoms. All Ti–Ru bond lengths are 3.08 Å. There are four shorter (2.72 Å) and four longer (2.84 Å) Ti–Ga bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Ti and eight Ga atoms to form a mixture of distorted face and corner-sharing RuTi4Ga8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.67 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ru–Ga bond lengths are 2.61 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Ti and three equivalent Ru atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Ti and four Ru atoms.

Authors:
Publication Date:
Other Number(s):
mp-1194115
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ti6Ga16Ru7; Ga-Ru-Ti
OSTI Identifier:
1679896
DOI:
https://doi.org/10.17188/1679896

Citation Formats

The Materials Project. Materials Data on Ti6Ga16Ru7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679896.
The Materials Project. Materials Data on Ti6Ga16Ru7 by Materials Project. United States. doi:https://doi.org/10.17188/1679896
The Materials Project. 2020. "Materials Data on Ti6Ga16Ru7 by Materials Project". United States. doi:https://doi.org/10.17188/1679896. https://www.osti.gov/servlets/purl/1679896. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1679896,
title = {Materials Data on Ti6Ga16Ru7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti6Ru7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ru and eight Ga atoms. All Ti–Ru bond lengths are 3.08 Å. There are four shorter (2.72 Å) and four longer (2.84 Å) Ti–Ga bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Ti and eight Ga atoms to form a mixture of distorted face and corner-sharing RuTi4Ga8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.67 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ru–Ga bond lengths are 2.61 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Ti and three equivalent Ru atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Ti and four Ru atoms.},
doi = {10.17188/1679896},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}