U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VCu12Sn(AsS8)2 by Materials Project
Abstract
VCu12Sn(AsS8)2 is Stannite-derived structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. V5+ is bonded to four equivalent S2- atoms to form VS4 tetrahedra that share corners with twelve CuS4 tetrahedra. All V–S bond lengths are 2.21 Å. There are two inequivalent Cu+1.08+ sites. In the first Cu+1.08+ site, Cu+1.08+ is bonded to four S2- atoms to form CuS4 tetrahedra that share a cornercorner with one VS4 tetrahedra, a cornercorner with one SnS4 tetrahedra, corners with two equivalent AsS4 tetrahedra, and corners with eight equivalent CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.27–2.33 Å. In the second Cu+1.08+ site, Cu+1.08+ is bonded to four S2- atoms to form CuS4 tetrahedra that share a cornercorner with one VS4 tetrahedra, a cornercorner with one SnS4 tetrahedra, corners with two equivalent AsS4 tetrahedra, and corners with eight CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.26–2.32 Å. Sn4+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with twelve CuS4 tetrahedra. All Sn–S bond lengths are 2.47 Å. As5+ is bonded to four equivalent S2- atoms to form AsS4 tetrahedra that share corners with twelvemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1216428
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; VCu12Sn(AsS8)2; As-Cu-S-Sn-V
- OSTI Identifier:
- 1749515
- DOI:
- https://doi.org/10.17188/1749515
Citation Formats
The Materials Project. Materials Data on VCu12Sn(AsS8)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1749515.
The Materials Project. Materials Data on VCu12Sn(AsS8)2 by Materials Project. United States. doi:https://doi.org/10.17188/1749515
The Materials Project. 2020.
"Materials Data on VCu12Sn(AsS8)2 by Materials Project". United States. doi:https://doi.org/10.17188/1749515. https://www.osti.gov/servlets/purl/1749515. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1749515,
title = {Materials Data on VCu12Sn(AsS8)2 by Materials Project},
author = {The Materials Project},
abstractNote = {VCu12Sn(AsS8)2 is Stannite-derived structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. V5+ is bonded to four equivalent S2- atoms to form VS4 tetrahedra that share corners with twelve CuS4 tetrahedra. All V–S bond lengths are 2.21 Å. There are two inequivalent Cu+1.08+ sites. In the first Cu+1.08+ site, Cu+1.08+ is bonded to four S2- atoms to form CuS4 tetrahedra that share a cornercorner with one VS4 tetrahedra, a cornercorner with one SnS4 tetrahedra, corners with two equivalent AsS4 tetrahedra, and corners with eight equivalent CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.27–2.33 Å. In the second Cu+1.08+ site, Cu+1.08+ is bonded to four S2- atoms to form CuS4 tetrahedra that share a cornercorner with one VS4 tetrahedra, a cornercorner with one SnS4 tetrahedra, corners with two equivalent AsS4 tetrahedra, and corners with eight CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.26–2.32 Å. Sn4+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with twelve CuS4 tetrahedra. All Sn–S bond lengths are 2.47 Å. As5+ is bonded to four equivalent S2- atoms to form AsS4 tetrahedra that share corners with twelve CuS4 tetrahedra. All As–S bond lengths are 2.32 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three Cu+1.08+ and one Sn4+ atom to form corner-sharing SCu3Sn tetrahedra. In the second S2- site, S2- is bonded to three Cu+1.08+ and one As5+ atom to form corner-sharing SCu3As tetrahedra. In the third S2- site, S2- is bonded to one V5+ and three Cu+1.08+ atoms to form corner-sharing SVCu3 tetrahedra.},
doi = {10.17188/1749515},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}