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Title: Materials Data on CuBiTeO by Materials Project

Abstract

BiCuOTe 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 CuTe 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 2.37 Å. O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the CuTe sheet, Cu1+ is bonded to four equivalent Te2- atoms to form a mixture of edge and corner-sharing CuTe4 tetrahedra. All Cu–Te bond lengths are 2.67 Å. Te2- is bonded in a 12-coordinate geometry to four equivalent Cu1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-545369
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; CuBiTeO; Bi-Cu-O-Te
OSTI Identifier:
1266993
DOI:
10.17188/1266993

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CuBiTeO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266993.
Persson, Kristin, & Project, Materials. Materials Data on CuBiTeO by Materials Project. United States. doi:10.17188/1266993.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CuBiTeO by Materials Project". United States. doi:10.17188/1266993. https://www.osti.gov/servlets/purl/1266993. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1266993,
title = {Materials Data on CuBiTeO by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BiCuOTe 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 CuTe 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 2.37 Å. O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the CuTe sheet, Cu1+ is bonded to four equivalent Te2- atoms to form a mixture of edge and corner-sharing CuTe4 tetrahedra. All Cu–Te bond lengths are 2.67 Å. Te2- is bonded in a 12-coordinate geometry to four equivalent Cu1+ atoms.},
doi = {10.17188/1266993},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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