Materials Data on Ba2EuTaO6 by Materials Project
Abstract
Ba2EuTaO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent EuO6 octahedra, and faces with four equivalent TaO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.95–3.16 Å. Eu3+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are four shorter (2.30 Å) and two longer (2.32 Å) Eu–O bond lengths. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent EuO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–8°. All Ta–O bond lengths are 2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Eu3+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-21348
- 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; Ba2EuTaO6; Ba-Eu-O-Ta
- OSTI Identifier:
- 1196796
- DOI:
- https://doi.org/10.17188/1196796
Citation Formats
The Materials Project. Materials Data on Ba2EuTaO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1196796.
The Materials Project. Materials Data on Ba2EuTaO6 by Materials Project. United States. doi:https://doi.org/10.17188/1196796
The Materials Project. 2020.
"Materials Data on Ba2EuTaO6 by Materials Project". United States. doi:https://doi.org/10.17188/1196796. https://www.osti.gov/servlets/purl/1196796. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1196796,
title = {Materials Data on Ba2EuTaO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2EuTaO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent EuO6 octahedra, and faces with four equivalent TaO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.95–3.16 Å. Eu3+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are four shorter (2.30 Å) and two longer (2.32 Å) Eu–O bond lengths. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent EuO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–8°. All Ta–O bond lengths are 2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Eu3+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Eu3+, and one Ta5+ atom.},
doi = {10.17188/1196796},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}