Materials Data on Mn4Hg3Au by Materials Project
Mn4AuHg3 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to four equivalent Au and four equivalent Hg atoms. All Mn–Au bond lengths are 2.80 Å. All Mn–Hg bond lengths are 2.91 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight Hg atoms. There are four shorter (2.86 Å) and four longer (2.87 Å) Mn–Hg bond lengths. Au is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted body-centered cubic geometry to eight Mn atoms. In the second Hg site, Hg is bonded in a body-centered cubic geometry to eight equivalent Mn 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:
- 1723998
- Report Number(s):
- mp-1221746
- Country of Publication:
- United States
- Language:
- English
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