Materials Data on Lu2(NiB2)3 by Materials Project
Abstract
Lu2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Lu3+ is bonded in a 12-coordinate geometry to twelve B2- atoms. There are a spread of Lu–B bond distances ranging from 2.70–2.73 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 6-coordinate geometry to six B2- atoms. There are two shorter (2.10 Å) and four longer (2.15 Å) Ni–B bond lengths. In the second Ni2+ site, Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent B2- atoms. All Ni–B bond lengths are 2.20 Å. There are two inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Ni2+, and three B2- atoms. There is one shorter (1.71 Å) and two longer (1.75 Å) B–B bond length. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Lu3+, three Ni2+, and two B2- atoms. The B–B bond length is 1.72 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-8771
- 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; Lu2(NiB2)3; B-Lu-Ni
- OSTI Identifier:
- 1312704
- DOI:
- https://doi.org/10.17188/1312704
Citation Formats
The Materials Project. Materials Data on Lu2(NiB2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312704.
The Materials Project. Materials Data on Lu2(NiB2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1312704
The Materials Project. 2020.
"Materials Data on Lu2(NiB2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1312704. https://www.osti.gov/servlets/purl/1312704. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1312704,
title = {Materials Data on Lu2(NiB2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Lu3+ is bonded in a 12-coordinate geometry to twelve B2- atoms. There are a spread of Lu–B bond distances ranging from 2.70–2.73 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 6-coordinate geometry to six B2- atoms. There are two shorter (2.10 Å) and four longer (2.15 Å) Ni–B bond lengths. In the second Ni2+ site, Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent B2- atoms. All Ni–B bond lengths are 2.20 Å. There are two inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Ni2+, and three B2- atoms. There is one shorter (1.71 Å) and two longer (1.75 Å) B–B bond length. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Lu3+, three Ni2+, and two B2- atoms. The B–B bond length is 1.72 Å.},
doi = {10.17188/1312704},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}