Materials Data on Ca3Hg2 by Materials Project
Ca3Hg2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a square co-planar geometry to four equivalent Hg atoms. All Ca–Hg bond lengths are 3.33 Å. In the second Ca site, Ca is bonded to six equivalent Hg atoms to form a mixture of distorted edge, face, and corner-sharing CaHg6 pentagonal pyramids. There are two shorter (3.22 Å) and four longer (3.31 Å) Ca–Hg bond lengths. Hg is bonded in a 8-coordinate geometry to eight Ca 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:
- 1187712
- Report Number(s):
- mp-11288
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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