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

Title: Materials Data on Ho2Mn3Si5 by Materials Project

Abstract

Ho2Mn3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Ho3+ is bonded in a 9-coordinate geometry to nine Si+2.40- atoms. There are a spread of Ho–Si bond distances ranging from 2.78–3.12 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six Si+2.40- atoms. There are four shorter (2.39 Å) and two longer (2.61 Å) Mn–Si bond lengths. In the second Mn2+ site, Mn2+ is bonded to six Si+2.40- atoms to form a mixture of distorted face, edge, and corner-sharing MnSi6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Mn–Si bond distances ranging from 2.36–2.41 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 7-coordinate geometry to three equivalent Ho3+, four Mn2+, and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.50 Å. In the second Si+2.40- site, Si+2.40- is bonded in a 10-coordinate geometry to four equivalent Ho3+ and four equivalent Mn2+ atoms. In the third Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent Ho3+, three Mn2+, and four Si+2.40- atoms. Both Si–Si bond lengths are 2.70 Å.

Authors:
Publication Date:
Other Number(s):
mp-505335
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ho2Mn3Si5; Ho-Mn-Si
OSTI Identifier:
1262496
DOI:
https://doi.org/10.17188/1262496

Citation Formats

The Materials Project. Materials Data on Ho2Mn3Si5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262496.
The Materials Project. Materials Data on Ho2Mn3Si5 by Materials Project. United States. doi:https://doi.org/10.17188/1262496
The Materials Project. 2020. "Materials Data on Ho2Mn3Si5 by Materials Project". United States. doi:https://doi.org/10.17188/1262496. https://www.osti.gov/servlets/purl/1262496. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1262496,
title = {Materials Data on Ho2Mn3Si5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho2Mn3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Ho3+ is bonded in a 9-coordinate geometry to nine Si+2.40- atoms. There are a spread of Ho–Si bond distances ranging from 2.78–3.12 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six Si+2.40- atoms. There are four shorter (2.39 Å) and two longer (2.61 Å) Mn–Si bond lengths. In the second Mn2+ site, Mn2+ is bonded to six Si+2.40- atoms to form a mixture of distorted face, edge, and corner-sharing MnSi6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Mn–Si bond distances ranging from 2.36–2.41 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 7-coordinate geometry to three equivalent Ho3+, four Mn2+, and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.50 Å. In the second Si+2.40- site, Si+2.40- is bonded in a 10-coordinate geometry to four equivalent Ho3+ and four equivalent Mn2+ atoms. In the third Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent Ho3+, three Mn2+, and four Si+2.40- atoms. Both Si–Si bond lengths are 2.70 Å.},
doi = {10.17188/1262496},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}