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Title: Materials Data on Tb3LuMn8 by Materials Project

Abstract

LuTb3Mn8 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to four Tb and twelve Mn atoms. There are three shorter (3.11 Å) and one longer (3.19 Å) Lu–Tb bond lengths. There are nine shorter (2.96 Å) and three longer (3.02 Å) Lu–Mn bond lengths. There are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to four Tb and twelve Mn atoms. There are three shorter (3.12 Å) and one longer (3.21 Å) Tb–Tb bond lengths. There are a spread of Tb–Mn bond distances ranging from 2.96–3.11 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to one Lu, three equivalent Tb, and twelve Mn atoms. There are a spread of Tb–Mn bond distances ranging from 2.96–3.12 Å. In the third Tb site, Tb is bonded in a 12-coordinate geometry to three equivalent Lu, one Tb, and twelve Mn atoms. There are a spread of Tb–Mn bond distances ranging from 2.96–3.01 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Lu, four Tb, and sixmore » Mn atoms to form a mixture of corner, edge, and face-sharing MnTb4Lu2Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.50–2.62 Å. In the second Mn site, Mn is bonded to one Lu, five Tb, and six Mn atoms to form a mixture of corner, edge, and face-sharing MnTb5LuMn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.49–2.63 Å. In the third Mn site, Mn is bonded to three equivalent Lu, three equivalent Tb, and six Mn atoms to form MnTb3Lu3Mn6 cuboctahedra that share corners with eighteen MnTb4Lu2Mn6 cuboctahedra, edges with six equivalent MnTb3Lu3Mn6 cuboctahedra, and faces with eighteen MnTb4Lu2Mn6 cuboctahedra. In the fourth Mn site, Mn is bonded to six Tb and six Mn atoms to form MnTb6Mn6 cuboctahedra that share corners with eighteen MnTb4Lu2Mn6 cuboctahedra, edges with six equivalent MnTb6Mn6 cuboctahedra, and faces with eighteen MnTb4Lu2Mn6 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1217646
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; Tb3LuMn8; Lu-Mn-Tb
OSTI Identifier:
1729605
DOI:
https://doi.org/10.17188/1729605

Citation Formats

The Materials Project. Materials Data on Tb3LuMn8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729605.
The Materials Project. Materials Data on Tb3LuMn8 by Materials Project. United States. doi:https://doi.org/10.17188/1729605
The Materials Project. 2019. "Materials Data on Tb3LuMn8 by Materials Project". United States. doi:https://doi.org/10.17188/1729605. https://www.osti.gov/servlets/purl/1729605. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1729605,
title = {Materials Data on Tb3LuMn8 by Materials Project},
author = {The Materials Project},
abstractNote = {LuTb3Mn8 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to four Tb and twelve Mn atoms. There are three shorter (3.11 Å) and one longer (3.19 Å) Lu–Tb bond lengths. There are nine shorter (2.96 Å) and three longer (3.02 Å) Lu–Mn bond lengths. There are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to four Tb and twelve Mn atoms. There are three shorter (3.12 Å) and one longer (3.21 Å) Tb–Tb bond lengths. There are a spread of Tb–Mn bond distances ranging from 2.96–3.11 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to one Lu, three equivalent Tb, and twelve Mn atoms. There are a spread of Tb–Mn bond distances ranging from 2.96–3.12 Å. In the third Tb site, Tb is bonded in a 12-coordinate geometry to three equivalent Lu, one Tb, and twelve Mn atoms. There are a spread of Tb–Mn bond distances ranging from 2.96–3.01 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Lu, four Tb, and six Mn atoms to form a mixture of corner, edge, and face-sharing MnTb4Lu2Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.50–2.62 Å. In the second Mn site, Mn is bonded to one Lu, five Tb, and six Mn atoms to form a mixture of corner, edge, and face-sharing MnTb5LuMn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.49–2.63 Å. In the third Mn site, Mn is bonded to three equivalent Lu, three equivalent Tb, and six Mn atoms to form MnTb3Lu3Mn6 cuboctahedra that share corners with eighteen MnTb4Lu2Mn6 cuboctahedra, edges with six equivalent MnTb3Lu3Mn6 cuboctahedra, and faces with eighteen MnTb4Lu2Mn6 cuboctahedra. In the fourth Mn site, Mn is bonded to six Tb and six Mn atoms to form MnTb6Mn6 cuboctahedra that share corners with eighteen MnTb4Lu2Mn6 cuboctahedra, edges with six equivalent MnTb6Mn6 cuboctahedra, and faces with eighteen MnTb4Lu2Mn6 cuboctahedra.},
doi = {10.17188/1729605},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}