Materials Data on ReB4 by Materials Project
ReB4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are two shorter (2.25 Å) and twelve longer (2.38 Å) Re–B bond lengths. In the second Re6+ site, Re6+ is bonded to twelve equivalent B+1.50- atoms to form face-sharing ReB12 cuboctahedra. All Re–B bond lengths are 2.40 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to one Re6+ and seven B+1.50- atoms. There is one shorter (1.69 Å) and six longer (1.94 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four Re6+ and five B+1.50- atoms. There is one shorter (1.77 Å) and two longer (1.84 Å) B–B bond length.
- 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:
- 1713589
- Report Number(s):
- mp-1190213
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ba2Sr6Co5Cu3O20 by Materials Project
Materials Data on Nd4AlSi5(NO)7 by Materials Project