Materials Data on Gd2B5 by Materials Project
Gd2B5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to twelve B atoms. There are a spread of Gd–B bond distances ranging from 2.62–2.90 Å. In the second Gd site, Gd is bonded in a 12-coordinate geometry to twelve B atoms. There are a spread of Gd–B bond distances ranging from 2.64–3.05 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four Gd and five B atoms. There are a spread of B–B bond distances ranging from 1.67–1.83 Å. In the second B site, B is bonded in a 8-coordinate geometry to six Gd and two B atoms. The B–B bond length is 1.66 Å. In the third B site, B is bonded in a 9-coordinate geometry to four Gd and five B atoms. There is one shorter (1.73 Å) and two longer (1.80 Å) B–B bond length. In the fourth B site, B is bonded in a 3-coordinate geometry to six Gd and three B atoms. There is one shorter (1.74 Å) and one longer (1.82 Å) B–B bond length. In the fifth B site, B is bonded in a 9-coordinate geometry to four Gd and five B atoms.
- 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:
- 1202482
- Report Number(s):
- mp-28366
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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