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Title: Materials Data on Eu2TiCuO6 by Materials Project

Abstract

Eu2TiCuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.36–2.72 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. There is four shorter (1.97 Å) and two longer (1.98 Å) Ti–O bond length. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. There are a spread of Cu–O bond distances ranging from 2.03–2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Eu3+, one Ti4+, and one Cu2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Eu3+, one Ti4+, and one Cu2+ atom. In the third O2- site, O2- is bonded to two equivalent Eu3+, one Ti4+, and one Cu2+ atom to form distorted corner-sharing OEu2TiCu tetrahedra.

Publication Date:
Other Number(s):
mp-1225669
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; Eu2TiCuO6; Cu-Eu-O-Ti
OSTI Identifier:
1676663
DOI:
https://doi.org/10.17188/1676663

Citation Formats

The Materials Project. Materials Data on Eu2TiCuO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676663.
The Materials Project. Materials Data on Eu2TiCuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1676663
The Materials Project. 2020. "Materials Data on Eu2TiCuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1676663. https://www.osti.gov/servlets/purl/1676663. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1676663,
title = {Materials Data on Eu2TiCuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu2TiCuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.36–2.72 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. There is four shorter (1.97 Å) and two longer (1.98 Å) Ti–O bond length. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. There are a spread of Cu–O bond distances ranging from 2.03–2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Eu3+, one Ti4+, and one Cu2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Eu3+, one Ti4+, and one Cu2+ atom. In the third O2- site, O2- is bonded to two equivalent Eu3+, one Ti4+, and one Cu2+ atom to form distorted corner-sharing OEu2TiCu tetrahedra.},
doi = {10.17188/1676663},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}