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Title: Materials Data on Tb5Mg by Materials Project

Abstract

MgTb5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Tb atoms. There are a spread of Mg–Tb bond distances ranging from 3.46–3.55 Å. There are five inequivalent Tb sites. In the first Tb site, Tb is bonded to twelve Tb atoms to form TbTb12 cuboctahedra that share corners with eighteen TbTb12 cuboctahedra, edges with ten TbTb10Mg2 cuboctahedra, and faces with eighteen TbTb12 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.48–3.59 Å. In the second Tb site, Tb is bonded to four equivalent Mg and eight Tb atoms to form a mixture of distorted edge, face, and corner-sharing TbTb8Mg4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.45–3.59 Å. In the third Tb site, Tb is bonded to two equivalent Mg and ten Tb atoms to form a mixture of distorted edge, face, and corner-sharing TbTb10Mg2 cuboctahedra. There are four shorter (3.48 Å) and two longer (3.59 Å) Tb–Tb bond lengths. In the fourth Tb site, Tb is bonded to two equivalent Mg and ten Tb atoms to form TbTb10Mg2 cuboctahedra that share corners with twelve TbTb10Mg2 cuboctahedra, edges with fifteen TbTb12more » cuboctahedra, and faces with eighteen TbTb12 cuboctahedra. There are two shorter (3.58 Å) and two longer (3.59 Å) Tb–Tb bond lengths. In the fifth Tb site, Tb is bonded to two equivalent Mg and ten Tb atoms to form distorted TbTb10Mg2 cuboctahedra that share corners with twelve TbTb10Mg2 cuboctahedra, edges with fifteen TbTb8Mg4 cuboctahedra, and faces with eighteen TbTb12 cuboctahedra. Both Tb–Tb bond lengths are 3.59 Å.« less

Publication Date:
Other Number(s):
mp-1187320
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; Tb5Mg; Mg-Tb
OSTI Identifier:
1728917
DOI:
https://doi.org/10.17188/1728917

Citation Formats

The Materials Project. Materials Data on Tb5Mg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1728917.
The Materials Project. Materials Data on Tb5Mg by Materials Project. United States. doi:https://doi.org/10.17188/1728917
The Materials Project. 2020. "Materials Data on Tb5Mg by Materials Project". United States. doi:https://doi.org/10.17188/1728917. https://www.osti.gov/servlets/purl/1728917. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1728917,
title = {Materials Data on Tb5Mg by Materials Project},
author = {The Materials Project},
abstractNote = {MgTb5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Tb atoms. There are a spread of Mg–Tb bond distances ranging from 3.46–3.55 Å. There are five inequivalent Tb sites. In the first Tb site, Tb is bonded to twelve Tb atoms to form TbTb12 cuboctahedra that share corners with eighteen TbTb12 cuboctahedra, edges with ten TbTb10Mg2 cuboctahedra, and faces with eighteen TbTb12 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.48–3.59 Å. In the second Tb site, Tb is bonded to four equivalent Mg and eight Tb atoms to form a mixture of distorted edge, face, and corner-sharing TbTb8Mg4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.45–3.59 Å. In the third Tb site, Tb is bonded to two equivalent Mg and ten Tb atoms to form a mixture of distorted edge, face, and corner-sharing TbTb10Mg2 cuboctahedra. There are four shorter (3.48 Å) and two longer (3.59 Å) Tb–Tb bond lengths. In the fourth Tb site, Tb is bonded to two equivalent Mg and ten Tb atoms to form TbTb10Mg2 cuboctahedra that share corners with twelve TbTb10Mg2 cuboctahedra, edges with fifteen TbTb12 cuboctahedra, and faces with eighteen TbTb12 cuboctahedra. There are two shorter (3.58 Å) and two longer (3.59 Å) Tb–Tb bond lengths. In the fifth Tb site, Tb is bonded to two equivalent Mg and ten Tb atoms to form distorted TbTb10Mg2 cuboctahedra that share corners with twelve TbTb10Mg2 cuboctahedra, edges with fifteen TbTb8Mg4 cuboctahedra, and faces with eighteen TbTb12 cuboctahedra. Both Tb–Tb bond lengths are 3.59 Å.},
doi = {10.17188/1728917},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}