U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmTaO4 by Materials Project
Abstract
SmTaO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.86 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 34–45°. There are a spread of Ta–O bond distances ranging from 1.93–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Sm3+ and one Ta5+ atom. In the fourth O2- site, O2- is bonded to three equivalent Sm3+ and one Ta5+ atom to form a mixture of distorted edge and corner-sharing OSm3Ta tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-770284
- 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; SmTaO4; O-Sm-Ta
- OSTI Identifier:
- 1299652
- DOI:
- https://doi.org/10.17188/1299652
Citation Formats
The Materials Project. Materials Data on SmTaO4 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1299652.
The Materials Project. Materials Data on SmTaO4 by Materials Project. United States. doi:https://doi.org/10.17188/1299652
The Materials Project. 2017.
"Materials Data on SmTaO4 by Materials Project". United States. doi:https://doi.org/10.17188/1299652. https://www.osti.gov/servlets/purl/1299652. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1299652,
title = {Materials Data on SmTaO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SmTaO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.86 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 34–45°. There are a spread of Ta–O bond distances ranging from 1.93–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Sm3+ and one Ta5+ atom. In the fourth O2- site, O2- is bonded to three equivalent Sm3+ and one Ta5+ atom to form a mixture of distorted edge and corner-sharing OSm3Ta tetrahedra.},
doi = {10.17188/1299652},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}