U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnCu2Sn(SeS)2 by Materials Project
Abstract
Cu2ZnSnS2Se2 is Clathrate-derived structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Cu1+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form CuSe2S2 tetrahedra that share corners with four equivalent CuSe2S2 tetrahedra, corners with four equivalent ZnSe2S2 tetrahedra, and corners with four equivalent SnSe2S2 tetrahedra. Both Cu–Se bond lengths are 2.44 Å. Both Cu–S bond lengths are 2.30 Å. Zn2+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form ZnSe2S2 tetrahedra that share corners with four equivalent SnSe2S2 tetrahedra and corners with eight equivalent CuSe2S2 tetrahedra. Both Zn–Se bond lengths are 2.48 Å. Both Zn–S bond lengths are 2.39 Å. Sn4+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form SnSe2S2 tetrahedra that share corners with four equivalent ZnSe2S2 tetrahedra and corners with eight equivalent CuSe2S2 tetrahedra. Both Sn–Se bond lengths are 2.59 Å. Both Sn–S bond lengths are 2.50 Å. Se2- is bonded to two equivalent Cu1+, one Zn2+, and one Sn4+ atom to form SeZnCu2Sn tetrahedra that share corners with four equivalent SeZnCu2Sn tetrahedra and corners with eight equivalent SZnCu2Sn tetrahedra. S2- is bonded to two equivalent Cu1+, one Zn2+, and onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1215668
- 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; ZnCu2Sn(SeS)2; Cu-S-Se-Sn-Zn
- OSTI Identifier:
- 1739123
- DOI:
- https://doi.org/10.17188/1739123
Citation Formats
The Materials Project. Materials Data on ZnCu2Sn(SeS)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1739123.
The Materials Project. Materials Data on ZnCu2Sn(SeS)2 by Materials Project. United States. doi:https://doi.org/10.17188/1739123
The Materials Project. 2020.
"Materials Data on ZnCu2Sn(SeS)2 by Materials Project". United States. doi:https://doi.org/10.17188/1739123. https://www.osti.gov/servlets/purl/1739123. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1739123,
title = {Materials Data on ZnCu2Sn(SeS)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2ZnSnS2Se2 is Clathrate-derived structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Cu1+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form CuSe2S2 tetrahedra that share corners with four equivalent CuSe2S2 tetrahedra, corners with four equivalent ZnSe2S2 tetrahedra, and corners with four equivalent SnSe2S2 tetrahedra. Both Cu–Se bond lengths are 2.44 Å. Both Cu–S bond lengths are 2.30 Å. Zn2+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form ZnSe2S2 tetrahedra that share corners with four equivalent SnSe2S2 tetrahedra and corners with eight equivalent CuSe2S2 tetrahedra. Both Zn–Se bond lengths are 2.48 Å. Both Zn–S bond lengths are 2.39 Å. Sn4+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form SnSe2S2 tetrahedra that share corners with four equivalent ZnSe2S2 tetrahedra and corners with eight equivalent CuSe2S2 tetrahedra. Both Sn–Se bond lengths are 2.59 Å. Both Sn–S bond lengths are 2.50 Å. Se2- is bonded to two equivalent Cu1+, one Zn2+, and one Sn4+ atom to form SeZnCu2Sn tetrahedra that share corners with four equivalent SeZnCu2Sn tetrahedra and corners with eight equivalent SZnCu2Sn tetrahedra. S2- is bonded to two equivalent Cu1+, one Zn2+, and one Sn4+ atom to form SZnCu2Sn tetrahedra that share corners with four equivalent SZnCu2Sn tetrahedra and corners with eight equivalent SeZnCu2Sn tetrahedra.},
doi = {10.17188/1739123},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}