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Title: Materials Data on HfMn2 by Materials Project

Abstract

HfMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Hf and twelve Mn atoms. There are three shorter (3.01 Å) and one longer (3.04 Å) Hf–Hf bond lengths. There are a spread of Hf–Mn bond distances ranging from 2.87–2.91 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Hf and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing MnHf6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.50 Å. In the second Mn site, Mn is bonded to six equivalent Hf and six Mn atoms to form a mixture of corner, edge, and face-sharing MnHf6Mn6 cuboctahedra. There are two shorter (2.39 Å) and two longer (2.51 Å) Mn–Mn bond lengths.

Publication Date:
Other Number(s):
mp-11449
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; HfMn2; Hf-Mn
OSTI Identifier:
1187839
DOI:
10.17188/1187839

Citation Formats

The Materials Project. Materials Data on HfMn2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187839.
The Materials Project. Materials Data on HfMn2 by Materials Project. United States. doi:10.17188/1187839.
The Materials Project. 2020. "Materials Data on HfMn2 by Materials Project". United States. doi:10.17188/1187839. https://www.osti.gov/servlets/purl/1187839. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187839,
title = {Materials Data on HfMn2 by Materials Project},
author = {The Materials Project},
abstractNote = {HfMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Hf and twelve Mn atoms. There are three shorter (3.01 Å) and one longer (3.04 Å) Hf–Hf bond lengths. There are a spread of Hf–Mn bond distances ranging from 2.87–2.91 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Hf and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing MnHf6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.50 Å. In the second Mn site, Mn is bonded to six equivalent Hf and six Mn atoms to form a mixture of corner, edge, and face-sharing MnHf6Mn6 cuboctahedra. There are two shorter (2.39 Å) and two longer (2.51 Å) Mn–Mn bond lengths.},
doi = {10.17188/1187839},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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