U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy2Mn3Si5 by Materials Project
Abstract
Dy2Mn3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Dy3+ is bonded in a 9-coordinate geometry to nine Si+2.40- atoms. There are a spread of Dy–Si bond distances ranging from 2.79–3.11 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 (2.62 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 2.36–2.42 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 Dy3+, 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 Dy3+ 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 Dy3+, three Mn2+, and four Si+2.40- atoms. Both Si–Si bond lengths are 2.71 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-505334
- 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; Dy2Mn3Si5; Dy-Mn-Si
- OSTI Identifier:
- 1262495
- DOI:
- https://doi.org/10.17188/1262495
Citation Formats
The Materials Project. Materials Data on Dy2Mn3Si5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262495.
The Materials Project. Materials Data on Dy2Mn3Si5 by Materials Project. United States. doi:https://doi.org/10.17188/1262495
The Materials Project. 2020.
"Materials Data on Dy2Mn3Si5 by Materials Project". United States. doi:https://doi.org/10.17188/1262495. https://www.osti.gov/servlets/purl/1262495. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1262495,
title = {Materials Data on Dy2Mn3Si5 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2Mn3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Dy3+ is bonded in a 9-coordinate geometry to nine Si+2.40- atoms. There are a spread of Dy–Si bond distances ranging from 2.79–3.11 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 (2.62 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 2.36–2.42 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 Dy3+, 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 Dy3+ 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 Dy3+, three Mn2+, and four Si+2.40- atoms. Both Si–Si bond lengths are 2.71 Å.},
doi = {10.17188/1262495},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}