Materials Data on Sm2B5 by Materials Project
Sm2B5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to twelve B atoms. There are a spread of Sm–B bond distances ranging from 2.65–2.92 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to twelve B atoms. There are a spread of Sm–B bond distances ranging from 2.66–3.09 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four Sm and five B atoms. There are a spread of B–B bond distances ranging from 1.75–1.82 Å. In the second B site, B is bonded in a 9-coordinate geometry to four Sm and five B atoms. There are a spread of B–B bond distances ranging from 1.76–1.84 Å. In the third B site, B is bonded in a 3-coordinate geometry to six Sm and three B atoms. The B–B bond length is 1.84 Å. In the fourth B site, B is bonded in a 9-coordinate geometry to four Sm and five B atoms. The B–B bond length is 1.68 Å. In the fifth B site, B is bonded in a 8-coordinate geometry to six Sm and two B atoms. The B–B bond length is 1.66 Å.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1275681
- Report Number(s):
- mp-570421
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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