Materials Data on SiB3 by Materials Project
SiB3 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are four inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to five B and one Si atom. There are a spread of B–B bond distances ranging from 1.75–1.80 Å. The B–Si bond length is 1.98 Å. In the second B site, B is bonded in a 1-coordinate geometry to five B and one Si atom. There are a spread of B–B bond distances ranging from 1.77–1.85 Å. The B–Si bond length is 2.04 Å. In the third B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.72–1.93 Å. In the fourth B site, B is bonded in a 6-coordinate geometry to five B and one Si atom. The B–Si bond length is 2.01 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to two equivalent B and three Si atoms. There are one shorter (2.34 Å) and two longer (2.59 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to two B and two equivalent Si 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:
- 1272893
- Report Number(s):
- mp-569128
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Lu2Si9B36C by Materials Project
Materials Data on Sr3Tm3Al4Si8N17O4 by Materials Project