Materials Data on In4GeSe4 by Materials Project
Abstract
Ge(InSe)4 is Hittorf-derived structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight germanium molecules and one InSe framework. In the InSe framework, there are two inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a distorted T-shaped geometry to three Se2- atoms. There are a spread of In–Se bond distances ranging from 2.65–2.72 Å. In the second In1+ site, In1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Se2- atoms. All In–Se bond lengths are 2.72 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent In1+ atoms. In the second Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three In1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-530545
- 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; In4GeSe4; Ge-In-Se
- OSTI Identifier:
- 1263240
- DOI:
- https://doi.org/10.17188/1263240
Citation Formats
The Materials Project. Materials Data on In4GeSe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1263240.
The Materials Project. Materials Data on In4GeSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1263240
The Materials Project. 2020.
"Materials Data on In4GeSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1263240. https://www.osti.gov/servlets/purl/1263240. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1263240,
title = {Materials Data on In4GeSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ge(InSe)4 is Hittorf-derived structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight germanium molecules and one InSe framework. In the InSe framework, there are two inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a distorted T-shaped geometry to three Se2- atoms. There are a spread of In–Se bond distances ranging from 2.65–2.72 Å. In the second In1+ site, In1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Se2- atoms. All In–Se bond lengths are 2.72 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent In1+ atoms. In the second Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three In1+ atoms.},
doi = {10.17188/1263240},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}