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Title: Materials Data on U4Si6Tc7 by Materials Project

Abstract

U4Tc7Si6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. U+3.25+ is bonded in a hexagonal planar geometry to six equivalent Tc3- atoms. All U–Tc bond lengths are 2.91 Å. There are two inequivalent Tc3- sites. In the first Tc3- site, Tc3- is bonded to four equivalent U+3.25+, four equivalent Tc3-, and four equivalent Si+1.33+ atoms to form distorted TcU4Si4Tc4 cuboctahedra that share corners with four equivalent TcU4Si4Tc4 cuboctahedra, corners with four equivalent TcSi6 octahedra, edges with eight equivalent TcU4Si4Tc4 cuboctahedra, and faces with six equivalent TcU4Si4Tc4 cuboctahedra. The corner-sharing octahedral tilt angles are 53°. All Tc–Tc bond lengths are 2.91 Å. All Tc–Si bond lengths are 2.58 Å. In the second Tc3- site, Tc3- is bonded to six equivalent Si+1.33+ atoms to form corner-sharing TcSi6 octahedra. All Tc–Si bond lengths are 2.55 Å. Si+1.33+ is bonded in a 5-coordinate geometry to five Tc3- atoms.

Publication Date:
Other Number(s):
mp-20471
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; U4Si6Tc7; Si-Tc-U
OSTI Identifier:
1195600
DOI:
https://doi.org/10.17188/1195600

Citation Formats

The Materials Project. Materials Data on U4Si6Tc7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195600.
The Materials Project. Materials Data on U4Si6Tc7 by Materials Project. United States. doi:https://doi.org/10.17188/1195600
The Materials Project. 2020. "Materials Data on U4Si6Tc7 by Materials Project". United States. doi:https://doi.org/10.17188/1195600. https://www.osti.gov/servlets/purl/1195600. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1195600,
title = {Materials Data on U4Si6Tc7 by Materials Project},
author = {The Materials Project},
abstractNote = {U4Tc7Si6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. U+3.25+ is bonded in a hexagonal planar geometry to six equivalent Tc3- atoms. All U–Tc bond lengths are 2.91 Å. There are two inequivalent Tc3- sites. In the first Tc3- site, Tc3- is bonded to four equivalent U+3.25+, four equivalent Tc3-, and four equivalent Si+1.33+ atoms to form distorted TcU4Si4Tc4 cuboctahedra that share corners with four equivalent TcU4Si4Tc4 cuboctahedra, corners with four equivalent TcSi6 octahedra, edges with eight equivalent TcU4Si4Tc4 cuboctahedra, and faces with six equivalent TcU4Si4Tc4 cuboctahedra. The corner-sharing octahedral tilt angles are 53°. All Tc–Tc bond lengths are 2.91 Å. All Tc–Si bond lengths are 2.58 Å. In the second Tc3- site, Tc3- is bonded to six equivalent Si+1.33+ atoms to form corner-sharing TcSi6 octahedra. All Tc–Si bond lengths are 2.55 Å. Si+1.33+ is bonded in a 5-coordinate geometry to five Tc3- atoms.},
doi = {10.17188/1195600},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}