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Title: Materials Data on KMoRu2 by Materials Project

Abstract

KMoRu2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. K is bonded in a distorted body-centered cubic geometry to four equivalent Mo and ten Ru atoms. All K–Mo bond lengths are 2.78 Å. There are four shorter (2.78 Å) and six longer (3.21 Å) K–Ru bond lengths. Mo is bonded to four equivalent K and four equivalent Ru atoms to form distorted MoK4Ru4 tetrahedra that share corners with eight equivalent RuK4Ru4 tetrahedra, edges with twelve equivalent MoK4Ru4 tetrahedra, and faces with six equivalent RuK4Ru4 tetrahedra. All Mo–Ru bond lengths are 2.78 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 4-coordinate geometry to six equivalent K, four equivalent Mo, and four equivalent Ru atoms. All Ru–Ru bond lengths are 2.78 Å. In the second Ru site, Ru is bonded to four equivalent K and four equivalent Ru atoms to form distorted RuK4Ru4 tetrahedra that share corners with eight equivalent MoK4Ru4 tetrahedra, edges with twelve equivalent RuK4Ru4 tetrahedra, and faces with six equivalent MoK4Ru4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-631329
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; KMoRu2; K-Mo-Ru
OSTI Identifier:
1279072
DOI:
https://doi.org/10.17188/1279072

Citation Formats

The Materials Project. Materials Data on KMoRu2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279072.
The Materials Project. Materials Data on KMoRu2 by Materials Project. United States. doi:https://doi.org/10.17188/1279072
The Materials Project. 2020. "Materials Data on KMoRu2 by Materials Project". United States. doi:https://doi.org/10.17188/1279072. https://www.osti.gov/servlets/purl/1279072. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1279072,
title = {Materials Data on KMoRu2 by Materials Project},
author = {The Materials Project},
abstractNote = {KMoRu2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. K is bonded in a distorted body-centered cubic geometry to four equivalent Mo and ten Ru atoms. All K–Mo bond lengths are 2.78 Å. There are four shorter (2.78 Å) and six longer (3.21 Å) K–Ru bond lengths. Mo is bonded to four equivalent K and four equivalent Ru atoms to form distorted MoK4Ru4 tetrahedra that share corners with eight equivalent RuK4Ru4 tetrahedra, edges with twelve equivalent MoK4Ru4 tetrahedra, and faces with six equivalent RuK4Ru4 tetrahedra. All Mo–Ru bond lengths are 2.78 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 4-coordinate geometry to six equivalent K, four equivalent Mo, and four equivalent Ru atoms. All Ru–Ru bond lengths are 2.78 Å. In the second Ru site, Ru is bonded to four equivalent K and four equivalent Ru atoms to form distorted RuK4Ru4 tetrahedra that share corners with eight equivalent MoK4Ru4 tetrahedra, edges with twelve equivalent RuK4Ru4 tetrahedra, and faces with six equivalent MoK4Ru4 tetrahedra.},
doi = {10.17188/1279072},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}