U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnCu2Ge(SeS)2 by Materials Project
Abstract
Cu2ZnGe(SeS)2 is Stannite-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 GeSe2S2 tetrahedra. Both Cu–Se bond lengths are 2.41 Å. Both Cu–S bond lengths are 2.29 Å. Zn2+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form ZnSe2S2 tetrahedra that share corners with four equivalent GeSe2S2 tetrahedra and corners with eight equivalent CuSe2S2 tetrahedra. Both Zn–Se bond lengths are 2.47 Å. Both Zn–S bond lengths are 2.41 Å. Ge4+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form GeSe2S2 tetrahedra that share corners with four equivalent ZnSe2S2 tetrahedra and corners with eight equivalent CuSe2S2 tetrahedra. Both Ge–Se bond lengths are 2.41 Å. Both Ge–S bond lengths are 2.30 Å. Se2- is bonded to two equivalent Cu1+, one Zn2+, and one Ge4+ atom to form SeZnCu2Ge tetrahedra that share corners with four equivalent SeZnCu2Ge tetrahedra and corners with eight equivalent SZnCu2Ge tetrahedra. S2- is bonded to two equivalent Cu1+, one Zn2+, and onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1215643
- 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; ZnCu2Ge(SeS)2; Cu-Ge-S-Se-Zn
- OSTI Identifier:
- 1676082
- DOI:
- https://doi.org/10.17188/1676082
Citation Formats
The Materials Project. Materials Data on ZnCu2Ge(SeS)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1676082.
The Materials Project. Materials Data on ZnCu2Ge(SeS)2 by Materials Project. United States. doi:https://doi.org/10.17188/1676082
The Materials Project. 2019.
"Materials Data on ZnCu2Ge(SeS)2 by Materials Project". United States. doi:https://doi.org/10.17188/1676082. https://www.osti.gov/servlets/purl/1676082. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1676082,
title = {Materials Data on ZnCu2Ge(SeS)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2ZnGe(SeS)2 is Stannite-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 GeSe2S2 tetrahedra. Both Cu–Se bond lengths are 2.41 Å. Both Cu–S bond lengths are 2.29 Å. Zn2+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form ZnSe2S2 tetrahedra that share corners with four equivalent GeSe2S2 tetrahedra and corners with eight equivalent CuSe2S2 tetrahedra. Both Zn–Se bond lengths are 2.47 Å. Both Zn–S bond lengths are 2.41 Å. Ge4+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form GeSe2S2 tetrahedra that share corners with four equivalent ZnSe2S2 tetrahedra and corners with eight equivalent CuSe2S2 tetrahedra. Both Ge–Se bond lengths are 2.41 Å. Both Ge–S bond lengths are 2.30 Å. Se2- is bonded to two equivalent Cu1+, one Zn2+, and one Ge4+ atom to form SeZnCu2Ge tetrahedra that share corners with four equivalent SeZnCu2Ge tetrahedra and corners with eight equivalent SZnCu2Ge tetrahedra. S2- is bonded to two equivalent Cu1+, one Zn2+, and one Ge4+ atom to form SZnCu2Ge tetrahedra that share corners with four equivalent SZnCu2Ge tetrahedra and corners with eight equivalent SeZnCu2Ge tetrahedra.},
doi = {10.17188/1676082},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}