U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tm2(NiB2)3 by Materials Project
Abstract
Tm2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tm3+ is bonded in a 12-coordinate geometry to twelve B2- atoms. There are a spread of Tm–B bond distances ranging from 2.72–2.75 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent B2- atoms. All Ni–B bond lengths are 2.22 Å. In the second Ni2+ site, Ni2+ is bonded in a 6-coordinate geometry to six B2- atoms. There are two shorter (2.12 Å) and four longer (2.16 Å) Ni–B bond lengths. There are two inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Tm3+, three Ni2+, and two B2- atoms. There is one shorter (1.73 Å) and one longer (1.75 Å) B–B bond length. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Ni2+, and three B2- atoms. The B–B bond length is 1.73 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1102968
- 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; Tm2(NiB2)3; B-Ni-Tm
- OSTI Identifier:
- 1701570
- DOI:
- https://doi.org/10.17188/1701570
Citation Formats
The Materials Project. Materials Data on Tm2(NiB2)3 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1701570.
The Materials Project. Materials Data on Tm2(NiB2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1701570
The Materials Project. 2018.
"Materials Data on Tm2(NiB2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1701570. https://www.osti.gov/servlets/purl/1701570. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1701570,
title = {Materials Data on Tm2(NiB2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tm3+ is bonded in a 12-coordinate geometry to twelve B2- atoms. There are a spread of Tm–B bond distances ranging from 2.72–2.75 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent B2- atoms. All Ni–B bond lengths are 2.22 Å. In the second Ni2+ site, Ni2+ is bonded in a 6-coordinate geometry to six B2- atoms. There are two shorter (2.12 Å) and four longer (2.16 Å) Ni–B bond lengths. There are two inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Tm3+, three Ni2+, and two B2- atoms. There is one shorter (1.73 Å) and one longer (1.75 Å) B–B bond length. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Ni2+, and three B2- atoms. The B–B bond length is 1.73 Å.},
doi = {10.17188/1701570},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 18 00:00:00 EDT 2018},
month = {Wed Jul 18 00:00:00 EDT 2018}
}