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Title: Materials Data on Fe4Te3Se by Materials Project

Abstract

Fe4Te3Se crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two Fe4Te3Se sheets oriented in the (0, 1, 0) direction. there are three inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to two equivalent Te2- and two equivalent Se2- atoms. Both Fe–Te bond lengths are 2.59 Å. Both Fe–Se bond lengths are 2.42 Å. In the second Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are two shorter (2.57 Å) and two longer (2.58 Å) Fe–Te bond lengths. In the third Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to three Te2- and one Se2- atom. All Fe–Te bond lengths are 2.58 Å. The Fe–Se bond length is 2.41 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four Fe2+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four Fe2+ atoms. Se2- is bonded in a 4-coordinate geometry to four Fe2+ atoms.

Publication Date:
Other Number(s):
mp-1224985
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; Fe4Te3Se; Fe-Se-Te
OSTI Identifier:
1676828
DOI:
https://doi.org/10.17188/1676828

Citation Formats

The Materials Project. Materials Data on Fe4Te3Se by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1676828.
The Materials Project. Materials Data on Fe4Te3Se by Materials Project. United States. doi:https://doi.org/10.17188/1676828
The Materials Project. 2019. "Materials Data on Fe4Te3Se by Materials Project". United States. doi:https://doi.org/10.17188/1676828. https://www.osti.gov/servlets/purl/1676828. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1676828,
title = {Materials Data on Fe4Te3Se by Materials Project},
author = {The Materials Project},
abstractNote = {Fe4Te3Se crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two Fe4Te3Se sheets oriented in the (0, 1, 0) direction. there are three inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to two equivalent Te2- and two equivalent Se2- atoms. Both Fe–Te bond lengths are 2.59 Å. Both Fe–Se bond lengths are 2.42 Å. In the second Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are two shorter (2.57 Å) and two longer (2.58 Å) Fe–Te bond lengths. In the third Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to three Te2- and one Se2- atom. All Fe–Te bond lengths are 2.58 Å. The Fe–Se bond length is 2.41 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four Fe2+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four Fe2+ atoms. Se2- is bonded in a 4-coordinate geometry to four Fe2+ atoms.},
doi = {10.17188/1676828},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}