Materials Data on SrMg6Cu by Materials Project
SrMg6Cu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to ten Mg and two equivalent Cu atoms. There are a spread of Sr–Mg bond distances ranging from 3.33–3.75 Å. Both Sr–Cu bond lengths are 3.30 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Sr, six Mg, and one Cu atom. There are a spread of Mg–Mg bond distances ranging from 3.08–3.44 Å. The Mg–Cu bond length is 2.69 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sr, six Mg, and two equivalent Cu atoms. There are a spread of Mg–Mg bond distances ranging from 2.96–3.30 Å. Both Mg–Cu bond lengths are 2.92 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to eight Mg atoms. Both Mg–Mg bond lengths are 3.18 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sr and eight Mg atoms. Cu is bonded in a 8-coordinate geometry to two equivalent Sr and six Mg 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:
- 1654301
- Report Number(s):
- mp-1022174
- Country of Publication:
- United States
- Language:
- English
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