Materials Data on Cr(B3H8)2 by Materials Project
Cr(B3H8)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Cr(B3H8)2 ribbon oriented in the (1, 0, 0) direction. Cr2+ is bonded in a distorted square co-planar geometry to four H1+ atoms. There is two shorter (1.66 Å) and two longer (1.85 Å) Cr–H bond length. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 2-coordinate geometry to one B3- and three H1+ atoms. The B–B bond length is 1.48 Å. There are a spread of B–H bond distances ranging from 1.06–1.57 Å. In the second B3- site, B3- is bonded in a 2-coordinate geometry to one B3- and four H1+ atoms. There are a spread of B–H bond distances ranging from 1.10–1.68 Å. In the third B3- site, B3- is bonded in a 2-coordinate geometry to three H1+ atoms. There are a spread of B–H bond distances ranging from 1.09–1.69 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the third H1+ site, H1+ is bonded in a bent 150 degrees geometry to one Cr2+ and one B3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the fifth H1+ site, H1+ is bonded in a distorted water-like geometry to two B3- atoms. In the sixth H1+ site, H1+ is bonded in a distorted single-bond geometry to two B3- atoms. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the eighth H1+ site, H1+ is bonded in a water-like geometry to one Cr2+ and one B3- atom.
- 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:
- 1273722
- Report Number(s):
- mp-567148
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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