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Title: Materials Data on YCu2Bi2(SeO2)2 by Materials Project

Abstract

Bi2YO4Cu2Se2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two CuSe sheets oriented in the (0, 0, 1) direction and two Y(BiO2)2 sheets oriented in the (0, 0, 1) direction. In each CuSe sheet, Cu+1.50+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Cu+1.50+ 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 2.40 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.25 Å. O2- is bonded to two equivalent Y3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OY2Bi2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-550306
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; YCu2Bi2(SeO2)2; Bi-Cu-O-Se-Y
OSTI Identifier:
1267412
DOI:
https://doi.org/10.17188/1267412

Citation Formats

The Materials Project. Materials Data on YCu2Bi2(SeO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267412.
The Materials Project. Materials Data on YCu2Bi2(SeO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1267412
The Materials Project. 2020. "Materials Data on YCu2Bi2(SeO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1267412. https://www.osti.gov/servlets/purl/1267412. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267412,
title = {Materials Data on YCu2Bi2(SeO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2YO4Cu2Se2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two CuSe sheets oriented in the (0, 0, 1) direction and two Y(BiO2)2 sheets oriented in the (0, 0, 1) direction. In each CuSe sheet, Cu+1.50+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Cu+1.50+ 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 2.40 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.25 Å. O2- is bonded to two equivalent Y3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OY2Bi2 tetrahedra.},
doi = {10.17188/1267412},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}