Materials Data on B2Mo2Ir by Materials Project
Mo2IrB2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 7-coordinate geometry to seven B atoms. There are a spread of Mo–B bond distances ranging from 2.34–2.54 Å. In the second Mo site, Mo is bonded in a 4-coordinate geometry to five B atoms. There are a spread of Mo–B bond distances ranging from 2.33–2.65 Å. Ir is bonded in a 3-coordinate geometry to three B atoms. There are two shorter (2.17 Å) and one longer (2.42 Å) Ir–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Mo, two equivalent Ir, and one B atom. The B–B bond length is 1.86 Å. In the second B site, B is bonded in a 9-coordinate geometry to six Mo, one Ir, and two B atoms. The B–B bond length is 1.88 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:
- 1195521
- Report Number(s):
- mp-20391
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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