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Title: Materials Data on YFe2Bi2(SeO2)2 by Materials Project

Abstract

Y(BiO2)2(FeSe)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two FeSe sheets oriented in the (0, 0, 1) direction and two Y(BiO2)2 sheets oriented in the (0, 0, 1) direction. In each FeSe sheet, Fe+2.50+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing FeSe4 tetrahedra. All Fe–Se bond lengths are 2.58 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Fe+2.50+ atoms. In each Y(BiO2)2 sheet, Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Y–O bond lengths are 2.41 Å. Bi2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.27 Å. O2- is bonded to two equivalent Y3+ and two equivalent Bi2+ atoms to form a mixture of corner and edge-sharing OY2Bi2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1022730
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; YFe2Bi2(SeO2)2; Bi-Fe-O-Se-Y
OSTI Identifier:
1354999
DOI:
https://doi.org/10.17188/1354999

Citation Formats

The Materials Project. Materials Data on YFe2Bi2(SeO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1354999.
The Materials Project. Materials Data on YFe2Bi2(SeO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1354999
The Materials Project. 2020. "Materials Data on YFe2Bi2(SeO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1354999. https://www.osti.gov/servlets/purl/1354999. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1354999,
title = {Materials Data on YFe2Bi2(SeO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Y(BiO2)2(FeSe)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two FeSe sheets oriented in the (0, 0, 1) direction and two Y(BiO2)2 sheets oriented in the (0, 0, 1) direction. In each FeSe sheet, Fe+2.50+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing FeSe4 tetrahedra. All Fe–Se bond lengths are 2.58 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Fe+2.50+ atoms. In each Y(BiO2)2 sheet, Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Y–O bond lengths are 2.41 Å. Bi2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.27 Å. O2- is bonded to two equivalent Y3+ and two equivalent Bi2+ atoms to form a mixture of corner and edge-sharing OY2Bi2 tetrahedra.},
doi = {10.17188/1354999},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}