U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm2ReO5 by Materials Project
Abstract
Sm2ReO5 crystallizes in the tetragonal P4/n 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 2.31–2.67 Å. There are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Re–O bond lengths are 1.94 Å. In the second Re4+ site, Re4+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Re–O bond lengths are 1.94 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sm3+ and one Re4+ atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sm3+ and one Re4+ atom. In the third O2- site, O2- is bonded to four equivalent Sm3+ atoms to form OSm4 tetrahedra that share corners with twelve equivalent OSm3Re tetrahedra and edges with two equivalent OSm4 tetrahedra. In the fourth O2- site, O2- is bonded to four equivalent Sm3+ atoms to form OSm4 tetrahedra that share corners with four equivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-17741
- 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; Sm2ReO5; O-Re-Sm
- OSTI Identifier:
- 1192666
- DOI:
- https://doi.org/10.17188/1192666
Citation Formats
The Materials Project. Materials Data on Sm2ReO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192666.
The Materials Project. Materials Data on Sm2ReO5 by Materials Project. United States. doi:https://doi.org/10.17188/1192666
The Materials Project. 2020.
"Materials Data on Sm2ReO5 by Materials Project". United States. doi:https://doi.org/10.17188/1192666. https://www.osti.gov/servlets/purl/1192666. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1192666,
title = {Materials Data on Sm2ReO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2ReO5 crystallizes in the tetragonal P4/n 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 2.31–2.67 Å. There are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Re–O bond lengths are 1.94 Å. In the second Re4+ site, Re4+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Re–O bond lengths are 1.94 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sm3+ and one Re4+ atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sm3+ and one Re4+ atom. In the third O2- site, O2- is bonded to four equivalent Sm3+ atoms to form OSm4 tetrahedra that share corners with twelve equivalent OSm3Re tetrahedra and edges with two equivalent OSm4 tetrahedra. In the fourth O2- site, O2- is bonded to four equivalent Sm3+ atoms to form OSm4 tetrahedra that share corners with four equivalent OSm3Re tetrahedra and edges with six OSm4 tetrahedra.},
doi = {10.17188/1192666},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}