Materials Data on Ga8Cu3Mo2 by Materials Project
Mo2Cu3Ga8 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Mo is bonded in a 11-coordinate geometry to three equivalent Cu and eight Ga atoms. All Mo–Cu bond lengths are 2.78 Å. There are a spread of Mo–Ga bond distances ranging from 2.58–2.63 Å. Cu is bonded in a distorted q6 geometry to two equivalent Mo and eight Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.58–2.69 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to two equivalent Mo, three equivalent Cu, and one Ga atom. The Ga–Ga bond length is 2.74 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mo, three equivalent Cu, and three equivalent Ga atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1273901
- Report Number(s):
- mp-567502
- Country of Publication:
- United States
- Language:
- English
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