Materials Data on SnHg2(SBr)2 by Materials Project
Hg2Sn(SBr)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to two S2- and three Br1- atoms. Both Hg–S bond lengths are 2.40 Å. There are two shorter (3.38 Å) and one longer (3.43 Å) Hg–Br bond lengths. In the second Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to three S2- and two equivalent Br1- atoms. There are a spread of Hg–S bond distances ranging from 2.40–3.08 Å. There are one shorter (3.46 Å) and one longer (3.56 Å) Hg–Br bond lengths. Sn2+ is bonded to two S2- and three Br1- atoms to form distorted edge-sharing SnS2Br3 square pyramids. There are one shorter (3.01 Å) and one longer (3.08 Å) Sn–S bond lengths. There are a spread of Sn–Br bond distances ranging from 2.84–2.96 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two Hg2+ and one Sn2+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Hg2+ and one Sn2+ atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to four Hg2+ and one Sn2+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to one Hg2+ and two equivalent Sn2+ 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:
- 1280319
- Report Number(s):
- mp-643460
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on SnHg2(SBr)2 by Materials Project
Materials Data on SnHg2(SBr)2 by Materials Project