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Title: Materials Data on MnTl3 by Materials Project

Abstract

MnTl3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Tl atoms to form MnTl12 cuboctahedra that share corners with six equivalent MnTl12 cuboctahedra, corners with twelve equivalent TlMn4Tl8 cuboctahedra, edges with eighteen equivalent TlMn4Tl8 cuboctahedra, faces with eight equivalent MnTl12 cuboctahedra, and faces with twelve equivalent TlMn4Tl8 cuboctahedra. There are six shorter (3.32 Å) and six longer (3.35 Å) Mn–Tl bond lengths. Tl is bonded to four equivalent Mn and eight equivalent Tl atoms to form TlMn4Tl8 cuboctahedra that share corners with four equivalent MnTl12 cuboctahedra, corners with fourteen equivalent TlMn4Tl8 cuboctahedra, edges with six equivalent MnTl12 cuboctahedra, edges with twelve equivalent TlMn4Tl8 cuboctahedra, faces with four equivalent MnTl12 cuboctahedra, and faces with sixteen equivalent TlMn4Tl8 cuboctahedra. There are a spread of Tl–Tl bond distances ranging from 3.27–3.44 Å.

Publication Date:
Other Number(s):
mp-975059
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; MnTl3; Mn-Tl
OSTI Identifier:
1314711
DOI:
https://doi.org/10.17188/1314711

Citation Formats

The Materials Project. Materials Data on MnTl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314711.
The Materials Project. Materials Data on MnTl3 by Materials Project. United States. doi:https://doi.org/10.17188/1314711
The Materials Project. 2020. "Materials Data on MnTl3 by Materials Project". United States. doi:https://doi.org/10.17188/1314711. https://www.osti.gov/servlets/purl/1314711. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1314711,
title = {Materials Data on MnTl3 by Materials Project},
author = {The Materials Project},
abstractNote = {MnTl3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Tl atoms to form MnTl12 cuboctahedra that share corners with six equivalent MnTl12 cuboctahedra, corners with twelve equivalent TlMn4Tl8 cuboctahedra, edges with eighteen equivalent TlMn4Tl8 cuboctahedra, faces with eight equivalent MnTl12 cuboctahedra, and faces with twelve equivalent TlMn4Tl8 cuboctahedra. There are six shorter (3.32 Å) and six longer (3.35 Å) Mn–Tl bond lengths. Tl is bonded to four equivalent Mn and eight equivalent Tl atoms to form TlMn4Tl8 cuboctahedra that share corners with four equivalent MnTl12 cuboctahedra, corners with fourteen equivalent TlMn4Tl8 cuboctahedra, edges with six equivalent MnTl12 cuboctahedra, edges with twelve equivalent TlMn4Tl8 cuboctahedra, faces with four equivalent MnTl12 cuboctahedra, and faces with sixteen equivalent TlMn4Tl8 cuboctahedra. There are a spread of Tl–Tl bond distances ranging from 3.27–3.44 Å.},
doi = {10.17188/1314711},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}