Materials Data on Cr5B3 by Materials Project
Cr5B3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 5-coordinate geometry to five B atoms. There are a spread of Cr–B bond distances ranging from 2.16–2.27 Å. In the second Cr site, Cr is bonded in a 6-coordinate geometry to six B atoms. There are four shorter (2.18 Å) and two longer (2.49 Å) Cr–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 10-coordinate geometry to ten Cr atoms. In the second B site, B is bonded in a 9-coordinate geometry to eight Cr and one B atom. The B–B bond length is 1.81 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:
- 1191273
- Report Number(s):
- mp-15617
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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