Materials Data on Sr2TmTaO6 by Materials Project
Abstract
Sr2TmTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.93 Å. Tm3+ is bonded to six O2- atoms to form TmO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are four shorter (2.22 Å) and two longer (2.23 Å) Tm–O bond lengths. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent TmO6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are four shorter (2.01 Å) and two longer (2.02 Å) Ta–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Tm3+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Tm3+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Tm3+, and one Ta5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-16605
- 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; Sr2TmTaO6; O-Sr-Ta-Tm
- OSTI Identifier:
- 1192055
- DOI:
- https://doi.org/10.17188/1192055
Citation Formats
The Materials Project. Materials Data on Sr2TmTaO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192055.
The Materials Project. Materials Data on Sr2TmTaO6 by Materials Project. United States. doi:https://doi.org/10.17188/1192055
The Materials Project. 2020.
"Materials Data on Sr2TmTaO6 by Materials Project". United States. doi:https://doi.org/10.17188/1192055. https://www.osti.gov/servlets/purl/1192055. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1192055,
title = {Materials Data on Sr2TmTaO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2TmTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.93 Å. Tm3+ is bonded to six O2- atoms to form TmO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are four shorter (2.22 Å) and two longer (2.23 Å) Tm–O bond lengths. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent TmO6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are four shorter (2.01 Å) and two longer (2.02 Å) Ta–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Tm3+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Tm3+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Tm3+, and one Ta5+ atom.},
doi = {10.17188/1192055},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}