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Title: Materials Data on TaSn3 by Materials Project

Abstract

TaSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded to twelve equivalent Sn atoms to form TaSn12 cuboctahedra that share corners with six equivalent TaSn12 cuboctahedra, corners with twelve equivalent SnTa4Sn8 cuboctahedra, edges with eighteen equivalent SnTa4Sn8 cuboctahedra, faces with eight equivalent TaSn12 cuboctahedra, and faces with twelve equivalent SnTa4Sn8 cuboctahedra. There are six shorter (3.15 Å) and six longer (3.21 Å) Ta–Sn bond lengths. Sn is bonded to four equivalent Ta and eight equivalent Sn atoms to form distorted SnTa4Sn8 cuboctahedra that share corners with four equivalent TaSn12 cuboctahedra, corners with fourteen equivalent SnTa4Sn8 cuboctahedra, edges with six equivalent TaSn12 cuboctahedra, edges with twelve equivalent SnTa4Sn8 cuboctahedra, faces with four equivalent TaSn12 cuboctahedra, and faces with sixteen equivalent SnTa4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.00–3.30 Å.

Publication Date:
Other Number(s):
mp-1187261
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; TaSn3; Sn-Ta
OSTI Identifier:
1724754
DOI:
https://doi.org/10.17188/1724754

Citation Formats

The Materials Project. Materials Data on TaSn3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1724754.
The Materials Project. Materials Data on TaSn3 by Materials Project. United States. doi:https://doi.org/10.17188/1724754
The Materials Project. 2020. "Materials Data on TaSn3 by Materials Project". United States. doi:https://doi.org/10.17188/1724754. https://www.osti.gov/servlets/purl/1724754. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1724754,
title = {Materials Data on TaSn3 by Materials Project},
author = {The Materials Project},
abstractNote = {TaSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded to twelve equivalent Sn atoms to form TaSn12 cuboctahedra that share corners with six equivalent TaSn12 cuboctahedra, corners with twelve equivalent SnTa4Sn8 cuboctahedra, edges with eighteen equivalent SnTa4Sn8 cuboctahedra, faces with eight equivalent TaSn12 cuboctahedra, and faces with twelve equivalent SnTa4Sn8 cuboctahedra. There are six shorter (3.15 Å) and six longer (3.21 Å) Ta–Sn bond lengths. Sn is bonded to four equivalent Ta and eight equivalent Sn atoms to form distorted SnTa4Sn8 cuboctahedra that share corners with four equivalent TaSn12 cuboctahedra, corners with fourteen equivalent SnTa4Sn8 cuboctahedra, edges with six equivalent TaSn12 cuboctahedra, edges with twelve equivalent SnTa4Sn8 cuboctahedra, faces with four equivalent TaSn12 cuboctahedra, and faces with sixteen equivalent SnTa4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.00–3.30 Å.},
doi = {10.17188/1724754},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}