Materials Data on CuHgSI by Materials Project
CuHgSI crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Cu1+ is bonded to two equivalent S2- and two equivalent I1- atoms to form corner-sharing CuS2I2 tetrahedra. Both Cu–S bond lengths are 2.28 Å. There are one shorter (2.66 Å) and one longer (2.74 Å) Cu–I bond lengths. Hg2+ is bonded in a 2-coordinate geometry to two equivalent S2- and two equivalent I1- atoms. There are one shorter (2.45 Å) and one longer (2.46 Å) Hg–S bond lengths. There are one shorter (3.25 Å) and one longer (3.34 Å) Hg–I bond lengths. S2- is bonded to two equivalent Cu1+ and two equivalent Hg2+ atoms to form SCu2Hg2 trigonal pyramids that share corners with eight equivalent ICu2Hg2 tetrahedra and corners with four equivalent SCu2Hg2 trigonal pyramids. I1- is bonded to two equivalent Cu1+ and two equivalent Hg2+ atoms to form distorted ICu2Hg2 tetrahedra that share corners with four equivalent ICu2Hg2 tetrahedra and corners with eight equivalent SCu2Hg2 trigonal pyramids.
- 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:
- 1266520
- Report Number(s):
- mp-542426
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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