U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y3Ni13B2 by Materials Project
Abstract
Y3Ni13B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.85–3.25 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Y–Ni bond lengths are 2.86 Å. All Y–B bond lengths are 2.85 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted L-shaped geometry to four Y, two equivalent Ni, and two equivalent B atoms. Both Ni–Ni bond lengths are 2.46 Å. Both Ni–B bond lengths are 2.03 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Y and six Ni atoms. All Ni–Ni bond lengths are 2.43 Å. In the third Ni site, Ni is bonded to four equivalent Y and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiY4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.47 Å. B is bonded in a 6-coordinate geometry to three equivalent Y and six equivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-567863
- 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; Y3Ni13B2; B-Ni-Y
- OSTI Identifier:
- 1274087
- DOI:
- https://doi.org/10.17188/1274087
Citation Formats
The Materials Project. Materials Data on Y3Ni13B2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274087.
The Materials Project. Materials Data on Y3Ni13B2 by Materials Project. United States. doi:https://doi.org/10.17188/1274087
The Materials Project. 2020.
"Materials Data on Y3Ni13B2 by Materials Project". United States. doi:https://doi.org/10.17188/1274087. https://www.osti.gov/servlets/purl/1274087. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1274087,
title = {Materials Data on Y3Ni13B2 by Materials Project},
author = {The Materials Project},
abstractNote = {Y3Ni13B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.85–3.25 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Y–Ni bond lengths are 2.86 Å. All Y–B bond lengths are 2.85 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted L-shaped geometry to four Y, two equivalent Ni, and two equivalent B atoms. Both Ni–Ni bond lengths are 2.46 Å. Both Ni–B bond lengths are 2.03 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Y and six Ni atoms. All Ni–Ni bond lengths are 2.43 Å. In the third Ni site, Ni is bonded to four equivalent Y and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiY4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.47 Å. B is bonded in a 6-coordinate geometry to three equivalent Y and six equivalent Ni atoms.},
doi = {10.17188/1274087},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}