DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Dy3TmMn8 by Materials Project

Abstract

TmDy3Mn8 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Tm is bonded in a 9-coordinate geometry to four Dy and twelve Mn atoms. There are one shorter (3.05 Å) and three longer (3.25 Å) Tm–Dy bond lengths. There are a spread of Tm–Mn bond distances ranging from 2.92–3.14 Å. There are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to four Dy and twelve Mn atoms. There are one shorter (3.05 Å) and three longer (3.25 Å) Dy–Dy bond lengths. There are a spread of Dy–Mn bond distances ranging from 2.94–3.14 Å. In the second Dy site, Dy is bonded in a 9-coordinate geometry to one Tm, three equivalent Dy, and twelve Mn atoms. There are a spread of Dy–Mn bond distances ranging from 2.94–3.14 Å. In the third Dy site, Dy is bonded in a 12-coordinate geometry to three equivalent Tm, one Dy, and twelve Mn atoms. There are a spread of Dy–Mn bond distances ranging from 2.91–3.14 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Tm, four Dy, and six Mn atomsmore » to form a mixture of corner, edge, and face-sharing MnDy4Tm2Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.52–2.69 Å. In the second Mn site, Mn is bonded to one Tm, five Dy, and six Mn atoms to form a mixture of corner, edge, and face-sharing MnDy5TmMn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.53–2.70 Å. In the third Mn site, Mn is bonded to three equivalent Tm, three equivalent Dy, and six Mn atoms to form MnDy3Tm3Mn6 cuboctahedra that share corners with eighteen MnDy4Tm2Mn6 cuboctahedra, edges with six equivalent MnDy3Tm3Mn6 cuboctahedra, and faces with eighteen MnDy4Tm2Mn6 cuboctahedra. In the fourth Mn site, Mn is bonded to six Dy and six Mn atoms to form MnDy6Mn6 cuboctahedra that share corners with eighteen MnDy4Tm2Mn6 cuboctahedra, edges with six equivalent MnDy6Mn6 cuboctahedra, and faces with eighteen MnDy4Tm2Mn6 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1225350
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; Dy3TmMn8; Dy-Mn-Tm
OSTI Identifier:
1729437
DOI:
https://doi.org/10.17188/1729437

Citation Formats

The Materials Project. Materials Data on Dy3TmMn8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729437.
The Materials Project. Materials Data on Dy3TmMn8 by Materials Project. United States. doi:https://doi.org/10.17188/1729437
The Materials Project. 2019. "Materials Data on Dy3TmMn8 by Materials Project". United States. doi:https://doi.org/10.17188/1729437. https://www.osti.gov/servlets/purl/1729437. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1729437,
title = {Materials Data on Dy3TmMn8 by Materials Project},
author = {The Materials Project},
abstractNote = {TmDy3Mn8 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Tm is bonded in a 9-coordinate geometry to four Dy and twelve Mn atoms. There are one shorter (3.05 Å) and three longer (3.25 Å) Tm–Dy bond lengths. There are a spread of Tm–Mn bond distances ranging from 2.92–3.14 Å. There are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to four Dy and twelve Mn atoms. There are one shorter (3.05 Å) and three longer (3.25 Å) Dy–Dy bond lengths. There are a spread of Dy–Mn bond distances ranging from 2.94–3.14 Å. In the second Dy site, Dy is bonded in a 9-coordinate geometry to one Tm, three equivalent Dy, and twelve Mn atoms. There are a spread of Dy–Mn bond distances ranging from 2.94–3.14 Å. In the third Dy site, Dy is bonded in a 12-coordinate geometry to three equivalent Tm, one Dy, and twelve Mn atoms. There are a spread of Dy–Mn bond distances ranging from 2.91–3.14 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Tm, four Dy, and six Mn atoms to form a mixture of corner, edge, and face-sharing MnDy4Tm2Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.52–2.69 Å. In the second Mn site, Mn is bonded to one Tm, five Dy, and six Mn atoms to form a mixture of corner, edge, and face-sharing MnDy5TmMn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.53–2.70 Å. In the third Mn site, Mn is bonded to three equivalent Tm, three equivalent Dy, and six Mn atoms to form MnDy3Tm3Mn6 cuboctahedra that share corners with eighteen MnDy4Tm2Mn6 cuboctahedra, edges with six equivalent MnDy3Tm3Mn6 cuboctahedra, and faces with eighteen MnDy4Tm2Mn6 cuboctahedra. In the fourth Mn site, Mn is bonded to six Dy and six Mn atoms to form MnDy6Mn6 cuboctahedra that share corners with eighteen MnDy4Tm2Mn6 cuboctahedra, edges with six equivalent MnDy6Mn6 cuboctahedra, and faces with eighteen MnDy4Tm2Mn6 cuboctahedra.},
doi = {10.17188/1729437},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}