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Title: Materials Data on CuBiSeO by Materials Project

Abstract

BiCuSeO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BiO sheet oriented in the (0, 0, 1) direction and one CuSe sheet oriented in the (0, 0, 1) direction. In the BiO sheet, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.35 Å. O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the CuSe sheet, Cu1+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.52 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms.

Publication Date:
Other Number(s):
mp-23116
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; CuBiSeO; Bi-Cu-O-Se
OSTI Identifier:
1199245
DOI:
https://doi.org/10.17188/1199245

Citation Formats

The Materials Project. Materials Data on CuBiSeO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199245.
The Materials Project. Materials Data on CuBiSeO by Materials Project. United States. doi:https://doi.org/10.17188/1199245
The Materials Project. 2020. "Materials Data on CuBiSeO by Materials Project". United States. doi:https://doi.org/10.17188/1199245. https://www.osti.gov/servlets/purl/1199245. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199245,
title = {Materials Data on CuBiSeO by Materials Project},
author = {The Materials Project},
abstractNote = {BiCuSeO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BiO sheet oriented in the (0, 0, 1) direction and one CuSe sheet oriented in the (0, 0, 1) direction. In the BiO sheet, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.35 Å. O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the CuSe sheet, Cu1+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.52 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms.},
doi = {10.17188/1199245},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}