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Title: Materials Data on SnGe3 by Materials Project

Abstract

Sn1Ge3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sn is bonded to twelve Ge atoms to form SnGe12 cuboctahedra that share corners with four equivalent SnGe12 cuboctahedra, corners with eight equivalent GeSn4Ge8 cuboctahedra, edges with eight equivalent SnGe12 cuboctahedra, edges with sixteen equivalent GeSn4Ge8 cuboctahedra, faces with four equivalent SnGe12 cuboctahedra, and faces with fourteen GeSn4Ge8 cuboctahedra. There are four shorter (3.09 Å) and eight longer (3.12 Å) Sn–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Sn and eight Ge atoms to form distorted GeSn4Ge8 cuboctahedra that share corners with twelve equivalent GeSn4Ge8 cuboctahedra, edges with eight equivalent SnGe12 cuboctahedra, edges with sixteen GeSn4Ge8 cuboctahedra, faces with four equivalent SnGe12 cuboctahedra, and faces with fourteen GeSn4Ge8 cuboctahedra. There are four shorter (3.09 Å) and four longer (3.12 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded to four equivalent Sn and eight equivalent Ge atoms to form distorted GeSn4Ge8 cuboctahedra that share corners with four equivalent GeSn4Ge8 cuboctahedra, corners with eight equivalent SnGe12 cuboctahedra, edges with twenty-four GeSn4Ge8 cuboctahedra, faces with six equivalent SnGe12 cuboctahedra, andmore » faces with twelve GeSn4Ge8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-979254
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; SnGe3; Ge-Sn
OSTI Identifier:
1316097
DOI:
https://doi.org/10.17188/1316097

Citation Formats

The Materials Project. Materials Data on SnGe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316097.
The Materials Project. Materials Data on SnGe3 by Materials Project. United States. doi:https://doi.org/10.17188/1316097
The Materials Project. 2020. "Materials Data on SnGe3 by Materials Project". United States. doi:https://doi.org/10.17188/1316097. https://www.osti.gov/servlets/purl/1316097. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1316097,
title = {Materials Data on SnGe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sn1Ge3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sn is bonded to twelve Ge atoms to form SnGe12 cuboctahedra that share corners with four equivalent SnGe12 cuboctahedra, corners with eight equivalent GeSn4Ge8 cuboctahedra, edges with eight equivalent SnGe12 cuboctahedra, edges with sixteen equivalent GeSn4Ge8 cuboctahedra, faces with four equivalent SnGe12 cuboctahedra, and faces with fourteen GeSn4Ge8 cuboctahedra. There are four shorter (3.09 Å) and eight longer (3.12 Å) Sn–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Sn and eight Ge atoms to form distorted GeSn4Ge8 cuboctahedra that share corners with twelve equivalent GeSn4Ge8 cuboctahedra, edges with eight equivalent SnGe12 cuboctahedra, edges with sixteen GeSn4Ge8 cuboctahedra, faces with four equivalent SnGe12 cuboctahedra, and faces with fourteen GeSn4Ge8 cuboctahedra. There are four shorter (3.09 Å) and four longer (3.12 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded to four equivalent Sn and eight equivalent Ge atoms to form distorted GeSn4Ge8 cuboctahedra that share corners with four equivalent GeSn4Ge8 cuboctahedra, corners with eight equivalent SnGe12 cuboctahedra, edges with twenty-four GeSn4Ge8 cuboctahedra, faces with six equivalent SnGe12 cuboctahedra, and faces with twelve GeSn4Ge8 cuboctahedra.},
doi = {10.17188/1316097},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}