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Title: Materials Data on Ge3Mo by Materials Project

Abstract

MoGe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mo is bonded to twelve Ge atoms to form MoGe12 cuboctahedra that share corners with four equivalent MoGe12 cuboctahedra, corners with eight equivalent GeGe8Mo4 cuboctahedra, edges with eight equivalent MoGe12 cuboctahedra, edges with sixteen equivalent GeGe8Mo4 cuboctahedra, faces with four equivalent MoGe12 cuboctahedra, and faces with fourteen GeGe8Mo4 cuboctahedra. There are four shorter (2.82 Å) and eight longer (2.91 Å) Mo–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Mo and eight Ge atoms to form GeGe8Mo4 cuboctahedra that share corners with twelve equivalent GeGe8Mo4 cuboctahedra, edges with eight equivalent MoGe12 cuboctahedra, edges with sixteen GeGe8Mo4 cuboctahedra, faces with four equivalent MoGe12 cuboctahedra, and faces with fourteen GeGe8Mo4 cuboctahedra. There are four shorter (2.82 Å) and four longer (2.91 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded to four equivalent Mo and eight equivalent Ge atoms to form GeGe8Mo4 cuboctahedra that share corners with four equivalent GeGe8Mo4 cuboctahedra, corners with eight equivalent MoGe12 cuboctahedra, edges with twenty-four GeGe8Mo4 cuboctahedra, faces with six equivalent MoGe12 cuboctahedra, and faces withmore » twelve GeGe8Mo4 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1184671
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; Ge3Mo; Ge-Mo
OSTI Identifier:
1731392
DOI:
https://doi.org/10.17188/1731392

Citation Formats

The Materials Project. Materials Data on Ge3Mo by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731392.
The Materials Project. Materials Data on Ge3Mo by Materials Project. United States. doi:https://doi.org/10.17188/1731392
The Materials Project. 2020. "Materials Data on Ge3Mo by Materials Project". United States. doi:https://doi.org/10.17188/1731392. https://www.osti.gov/servlets/purl/1731392. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1731392,
title = {Materials Data on Ge3Mo by Materials Project},
author = {The Materials Project},
abstractNote = {MoGe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mo is bonded to twelve Ge atoms to form MoGe12 cuboctahedra that share corners with four equivalent MoGe12 cuboctahedra, corners with eight equivalent GeGe8Mo4 cuboctahedra, edges with eight equivalent MoGe12 cuboctahedra, edges with sixteen equivalent GeGe8Mo4 cuboctahedra, faces with four equivalent MoGe12 cuboctahedra, and faces with fourteen GeGe8Mo4 cuboctahedra. There are four shorter (2.82 Å) and eight longer (2.91 Å) Mo–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Mo and eight Ge atoms to form GeGe8Mo4 cuboctahedra that share corners with twelve equivalent GeGe8Mo4 cuboctahedra, edges with eight equivalent MoGe12 cuboctahedra, edges with sixteen GeGe8Mo4 cuboctahedra, faces with four equivalent MoGe12 cuboctahedra, and faces with fourteen GeGe8Mo4 cuboctahedra. There are four shorter (2.82 Å) and four longer (2.91 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded to four equivalent Mo and eight equivalent Ge atoms to form GeGe8Mo4 cuboctahedra that share corners with four equivalent GeGe8Mo4 cuboctahedra, corners with eight equivalent MoGe12 cuboctahedra, edges with twenty-four GeGe8Mo4 cuboctahedra, faces with six equivalent MoGe12 cuboctahedra, and faces with twelve GeGe8Mo4 cuboctahedra.},
doi = {10.17188/1731392},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}