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Title: Materials Data on Yb6Mn23 by Materials Project

Abstract

Yb6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Yb–Mn bond distances ranging from 2.97–3.12 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Yb and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.52–2.69 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.55 Å. In the third Mn site, Mn is bonded to four equivalent Yb and eight Mn atoms to form a mixture of corner and face-sharing MnYb4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.70 Å. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Yb and ten Mn atoms. All Mn–Mn bond lengths are 2.94 Å.

Publication Date:
Other Number(s):
mp-1193270
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; Yb6Mn23; Mn-Yb
OSTI Identifier:
1723121
DOI:
https://doi.org/10.17188/1723121

Citation Formats

The Materials Project. Materials Data on Yb6Mn23 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1723121.
The Materials Project. Materials Data on Yb6Mn23 by Materials Project. United States. doi:https://doi.org/10.17188/1723121
The Materials Project. 2020. "Materials Data on Yb6Mn23 by Materials Project". United States. doi:https://doi.org/10.17188/1723121. https://www.osti.gov/servlets/purl/1723121. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1723121,
title = {Materials Data on Yb6Mn23 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Yb–Mn bond distances ranging from 2.97–3.12 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Yb and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.52–2.69 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.55 Å. In the third Mn site, Mn is bonded to four equivalent Yb and eight Mn atoms to form a mixture of corner and face-sharing MnYb4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.70 Å. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Yb and ten Mn atoms. All Mn–Mn bond lengths are 2.94 Å.},
doi = {10.17188/1723121},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}