U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2LuTaO6 by Materials Project
Abstract
Sr2LuTaO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent LuO6 octahedra, and faces with four equivalent TaO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.79–3.11 Å. Lu3+ is bonded to six O2- atoms to form LuO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 4–6°. There are four shorter (2.16 Å) and two longer (2.17 Å) Lu–O bond lengths. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent LuO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 4–6°. There is four shorter (1.99 Å) and two longer (2.00 Å) Ta–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Lu3+, and one Ta5+ atom. In the second O2- site, O2- is bondedmore »
- Publication Date:
- Other Number(s):
- mp-1208820
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Lu-O-Sr-Ta; Sr2LuTaO6; crystal structure
- OSTI Identifier:
- 1705749
- DOI:
- https://doi.org/10.17188/1705749
Citation Formats
Materials Data on Sr2LuTaO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1705749.
Materials Data on Sr2LuTaO6 by Materials Project. United States. doi:https://doi.org/10.17188/1705749
2020.
"Materials Data on Sr2LuTaO6 by Materials Project". United States. doi:https://doi.org/10.17188/1705749. https://www.osti.gov/servlets/purl/1705749. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1705749,
title = {Materials Data on Sr2LuTaO6 by Materials Project},
abstractNote = {Sr2LuTaO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent LuO6 octahedra, and faces with four equivalent TaO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.79–3.11 Å. Lu3+ is bonded to six O2- atoms to form LuO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 4–6°. There are four shorter (2.16 Å) and two longer (2.17 Å) Lu–O bond lengths. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent LuO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 4–6°. There is four shorter (1.99 Å) and two longer (2.00 Å) Ta–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Lu3+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Lu3+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Lu3+, and one Ta5+ atom.},
doi = {10.17188/1705749},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}