U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy3Ni7B2 by Materials Project
Abstract
Dy3Ni7B2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to one Dy and twelve Ni atoms. The Dy–Dy bond length is 3.12 Å. There are a spread of Dy–Ni bond distances ranging from 2.96–3.04 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to one Dy and twelve Ni atoms. The Dy–Dy bond length is 3.12 Å. There are a spread of Dy–Ni bond distances ranging from 2.96–3.04 Å. In the third Dy site, Dy is bonded in a 12-coordinate geometry to two equivalent Dy, twelve equivalent Ni, and six B atoms. All Dy–Ni bond lengths are 2.92 Å. All Dy–B bond lengths are 2.93 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted L-shaped geometry to five Dy, one Ni, and two B atoms. The Ni–Ni bond length is 2.58 Å. There are one shorter (2.05 Å) and one longer (2.06 Å) Ni–B bond lengths. In the second Ni site, Ni is bonded to six equivalent Dy and six equivalent Ni atoms to form edge-sharingmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-18399
- 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; Dy3Ni7B2; B-Dy-Ni
- OSTI Identifier:
- 1193091
- DOI:
- https://doi.org/10.17188/1193091
Citation Formats
The Materials Project. Materials Data on Dy3Ni7B2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193091.
The Materials Project. Materials Data on Dy3Ni7B2 by Materials Project. United States. doi:https://doi.org/10.17188/1193091
The Materials Project. 2020.
"Materials Data on Dy3Ni7B2 by Materials Project". United States. doi:https://doi.org/10.17188/1193091. https://www.osti.gov/servlets/purl/1193091. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1193091,
title = {Materials Data on Dy3Ni7B2 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy3Ni7B2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to one Dy and twelve Ni atoms. The Dy–Dy bond length is 3.12 Å. There are a spread of Dy–Ni bond distances ranging from 2.96–3.04 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to one Dy and twelve Ni atoms. The Dy–Dy bond length is 3.12 Å. There are a spread of Dy–Ni bond distances ranging from 2.96–3.04 Å. In the third Dy site, Dy is bonded in a 12-coordinate geometry to two equivalent Dy, twelve equivalent Ni, and six B atoms. All Dy–Ni bond lengths are 2.92 Å. All Dy–B bond lengths are 2.93 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted L-shaped geometry to five Dy, one Ni, and two B atoms. The Ni–Ni bond length is 2.58 Å. There are one shorter (2.05 Å) and one longer (2.06 Å) Ni–B bond lengths. In the second Ni site, Ni is bonded to six equivalent Dy and six equivalent Ni atoms to form edge-sharing NiDy6Ni6 cuboctahedra. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Dy and six equivalent Ni atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Dy and six equivalent Ni atoms.},
doi = {10.17188/1193091},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}