Materials Data on Zn(InSe2)2 by Materials Project
Abstract
ZnIn2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with eight InSe4 tetrahedra. All Zn–Se bond lengths are 2.51 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. In the second In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two In3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-22607
- 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; Zn(InSe2)2; In-Se-Zn
- OSTI Identifier:
- 1198819
- DOI:
- https://doi.org/10.17188/1198819
Citation Formats
The Materials Project. Materials Data on Zn(InSe2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1198819.
The Materials Project. Materials Data on Zn(InSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1198819
The Materials Project. 2020.
"Materials Data on Zn(InSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1198819. https://www.osti.gov/servlets/purl/1198819. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1198819,
title = {Materials Data on Zn(InSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnIn2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with eight InSe4 tetrahedra. All Zn–Se bond lengths are 2.51 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. In the second In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two In3+ atoms.},
doi = {10.17188/1198819},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}