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Title: 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.

Publication Date:
Other Number(s):
mp-530545
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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 = {2020},
month = {4}
}