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Title: Materials Data on Mg5Tl2 by Materials Project

Abstract

Mg5Tl2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Mg and four equivalent Tl atoms. Both Mg–Mg bond lengths are 3.22 Å. There are a spread of Mg–Tl bond distances ranging from 2.99–3.22 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to one Mg and four equivalent Tl atoms. The Mg–Mg bond length is 3.37 Å. There are two shorter (2.99 Å) and two longer (3.12 Å) Mg–Tl bond lengths. In the third Mg site, Mg is bonded to eight Mg and four equivalent Tl atoms to form a mixture of distorted corner and face-sharing MgMg8Tl4 cuboctahedra. Both Mg–Mg bond lengths are 3.12 Å. All Mg–Tl bond lengths are 3.08 Å. Tl is bonded in a distorted q6 geometry to ten Mg atoms.

Publication Date:
Other Number(s):
mp-570849
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; Mg5Tl2; Mg-Tl
OSTI Identifier:
1275940
DOI:
https://doi.org/10.17188/1275940

Citation Formats

The Materials Project. Materials Data on Mg5Tl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275940.
The Materials Project. Materials Data on Mg5Tl2 by Materials Project. United States. doi:https://doi.org/10.17188/1275940
The Materials Project. 2020. "Materials Data on Mg5Tl2 by Materials Project". United States. doi:https://doi.org/10.17188/1275940. https://www.osti.gov/servlets/purl/1275940. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275940,
title = {Materials Data on Mg5Tl2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg5Tl2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Mg and four equivalent Tl atoms. Both Mg–Mg bond lengths are 3.22 Å. There are a spread of Mg–Tl bond distances ranging from 2.99–3.22 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to one Mg and four equivalent Tl atoms. The Mg–Mg bond length is 3.37 Å. There are two shorter (2.99 Å) and two longer (3.12 Å) Mg–Tl bond lengths. In the third Mg site, Mg is bonded to eight Mg and four equivalent Tl atoms to form a mixture of distorted corner and face-sharing MgMg8Tl4 cuboctahedra. Both Mg–Mg bond lengths are 3.12 Å. All Mg–Tl bond lengths are 3.08 Å. Tl is bonded in a distorted q6 geometry to ten Mg atoms.},
doi = {10.17188/1275940},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}