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

Title: Materials Data on YMn12 by Materials Project

Abstract

YMn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twenty Mn atoms. There are a spread of Y–Mn bond distances ranging from 3.02–3.15 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Y and ten Mn atoms to form a mixture of face, edge, and corner-sharing MnY2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.36–2.57 Å. In the second Mn site, Mn is bonded in a 1-coordinate geometry to one Y and thirteen Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.23–2.83 Å. In the third Mn site, Mn is bonded to two equivalent Y and ten Mn atoms to form a mixture of distorted face, edge, and corner-sharing MnY2Mn10 cuboctahedra. Both Mn–Mn bond lengths are 2.69 Å.

Publication Date:
Other Number(s):
mp-22508
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; YMn12; Mn-Y
OSTI Identifier:
1198750
DOI:
10.17188/1198750

Citation Formats

The Materials Project. Materials Data on YMn12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198750.
The Materials Project. Materials Data on YMn12 by Materials Project. United States. doi:10.17188/1198750.
The Materials Project. 2020. "Materials Data on YMn12 by Materials Project". United States. doi:10.17188/1198750. https://www.osti.gov/servlets/purl/1198750. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1198750,
title = {Materials Data on YMn12 by Materials Project},
author = {The Materials Project},
abstractNote = {YMn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twenty Mn atoms. There are a spread of Y–Mn bond distances ranging from 3.02–3.15 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Y and ten Mn atoms to form a mixture of face, edge, and corner-sharing MnY2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.36–2.57 Å. In the second Mn site, Mn is bonded in a 1-coordinate geometry to one Y and thirteen Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.23–2.83 Å. In the third Mn site, Mn is bonded to two equivalent Y and ten Mn atoms to form a mixture of distorted face, edge, and corner-sharing MnY2Mn10 cuboctahedra. Both Mn–Mn bond lengths are 2.69 Å.},
doi = {10.17188/1198750},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: