Materials Data on Tm2(NiB2)3 by Materials Project
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.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1701570
- Report Number(s):
- mp-1102968
- Country of Publication:
- United States
- Language:
- English
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