Materials Data on Hg2As3Br by Materials Project
Hg2As3Br is Sylvanite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Hg2+ is bonded in a 6-coordinate geometry to three As1- and three equivalent Br1- atoms. There are a spread of Hg–As bond distances ranging from 2.60–3.14 Å. There are a spread of Hg–Br bond distances ranging from 3.18–3.66 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded to two equivalent Hg2+ and two As1- atoms to form distorted corner-sharing AsHg2As2 trigonal pyramids. There are one shorter (2.47 Å) and one longer (2.49 Å) As–As bond lengths. In the second As1- site, As1- is bonded to two equivalent Hg2+ and two equivalent As1- atoms to form corner-sharing AsHg2As2 tetrahedra. Br1- is bonded in a 6-coordinate geometry to six equivalent Hg2+ 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:
- 1202975
- Report Number(s):
- mp-28899
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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