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Title: Materials Data on Tl3V by Materials Project

Abstract

VTl3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. V is bonded to twelve Tl atoms to form VTl12 cuboctahedra that share corners with four equivalent VTl12 cuboctahedra, corners with eight equivalent TlTl8V4 cuboctahedra, edges with eight equivalent VTl12 cuboctahedra, edges with sixteen equivalent TlTl8V4 cuboctahedra, faces with four equivalent VTl12 cuboctahedra, and faces with fourteen TlTl8V4 cuboctahedra. There are four shorter (3.27 Å) and eight longer (3.32 Å) V–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to four equivalent V and eight Tl atoms to form TlTl8V4 cuboctahedra that share corners with twelve equivalent TlTl8V4 cuboctahedra, edges with eight equivalent VTl12 cuboctahedra, edges with sixteen TlTl8V4 cuboctahedra, faces with four equivalent VTl12 cuboctahedra, and faces with fourteen TlTl8V4 cuboctahedra. There are four shorter (3.27 Å) and four longer (3.32 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded to four equivalent V and eight equivalent Tl atoms to form TlTl8V4 cuboctahedra that share corners with four equivalent TlTl8V4 cuboctahedra, corners with eight equivalent VTl12 cuboctahedra, edges with twenty-four TlTl8V4 cuboctahedra, faces with six equivalent VTl12 cuboctahedra, and faces withmore » twelve TlTl8V4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-981210
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; Tl3V; Tl-V
OSTI Identifier:
1272940
DOI:
10.17188/1272940

Citation Formats

The Materials Project. Materials Data on Tl3V by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272940.
The Materials Project. Materials Data on Tl3V by Materials Project. United States. doi:10.17188/1272940.
The Materials Project. 2020. "Materials Data on Tl3V by Materials Project". United States. doi:10.17188/1272940. https://www.osti.gov/servlets/purl/1272940. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1272940,
title = {Materials Data on Tl3V by Materials Project},
author = {The Materials Project},
abstractNote = {VTl3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. V is bonded to twelve Tl atoms to form VTl12 cuboctahedra that share corners with four equivalent VTl12 cuboctahedra, corners with eight equivalent TlTl8V4 cuboctahedra, edges with eight equivalent VTl12 cuboctahedra, edges with sixteen equivalent TlTl8V4 cuboctahedra, faces with four equivalent VTl12 cuboctahedra, and faces with fourteen TlTl8V4 cuboctahedra. There are four shorter (3.27 Å) and eight longer (3.32 Å) V–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to four equivalent V and eight Tl atoms to form TlTl8V4 cuboctahedra that share corners with twelve equivalent TlTl8V4 cuboctahedra, edges with eight equivalent VTl12 cuboctahedra, edges with sixteen TlTl8V4 cuboctahedra, faces with four equivalent VTl12 cuboctahedra, and faces with fourteen TlTl8V4 cuboctahedra. There are four shorter (3.27 Å) and four longer (3.32 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded to four equivalent V and eight equivalent Tl atoms to form TlTl8V4 cuboctahedra that share corners with four equivalent TlTl8V4 cuboctahedra, corners with eight equivalent VTl12 cuboctahedra, edges with twenty-four TlTl8V4 cuboctahedra, faces with six equivalent VTl12 cuboctahedra, and faces with twelve TlTl8V4 cuboctahedra.},
doi = {10.17188/1272940},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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