Materials Data on ReB3 by Materials Project
ReB3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re3+ is bonded in a 8-coordinate geometry to fourteen B1- atoms. There are eight shorter (2.34 Å) and six longer (2.63 Å) Re–B bond lengths. There are two inequivalent B1- sites. In the first B1- site, B1- is bonded in a distorted hexagonal planar geometry to six equivalent Re3+ and six equivalent B1- atoms. All B–B bond lengths are 1.87 Å. In the second B1- site, B1- is bonded in a 10-coordinate geometry to four equivalent Re3+ and six B1- atoms. All B–B bond lengths are 2.01 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:
- 1307730
- Report Number(s):
- mp-7839
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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