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Title: Materials Data on FeGe4H24C8(S5N)2 by Materials Project

Abstract

Fe(Ge2S5)2(N(CH3)4)2 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one Fe(Ge2S5)2 framework. In the Fe(Ge2S5)2 framework, Fe2+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with four equivalent GeS4 tetrahedra. All Fe–S bond lengths are 2.30 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share a cornercorner with one FeS4 tetrahedra and corners with three equivalent GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.21–2.28 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to one Fe2+ and one Ge4+ atom.

Publication Date:
Other Number(s):
mp-736330
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; FeGe4H24C8(S5N)2; C-Fe-Ge-H-N-S
OSTI Identifier:
1287858
DOI:
10.17188/1287858

Citation Formats

The Materials Project. Materials Data on FeGe4H24C8(S5N)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287858.
The Materials Project. Materials Data on FeGe4H24C8(S5N)2 by Materials Project. United States. doi:10.17188/1287858.
The Materials Project. 2020. "Materials Data on FeGe4H24C8(S5N)2 by Materials Project". United States. doi:10.17188/1287858. https://www.osti.gov/servlets/purl/1287858. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1287858,
title = {Materials Data on FeGe4H24C8(S5N)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe(Ge2S5)2(N(CH3)4)2 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one Fe(Ge2S5)2 framework. In the Fe(Ge2S5)2 framework, Fe2+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with four equivalent GeS4 tetrahedra. All Fe–S bond lengths are 2.30 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share a cornercorner with one FeS4 tetrahedra and corners with three equivalent GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.21–2.28 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to one Fe2+ and one Ge4+ atom.},
doi = {10.17188/1287858},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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