U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm2Se2O by Materials Project
Abstract
Sm2Se2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 3-coordinate geometry to five Se2- and three equivalent O2- atoms. There are a spread of Sm–Se bond distances ranging from 3.09–3.25 Å. There are one shorter (2.35 Å) and two longer (2.36 Å) Sm–O bond lengths. In the second Sm3+ site, Sm3+ is bonded to five Se2- and one O2- atom to form a mixture of distorted edge and corner-sharing SmSe5O octahedra. The corner-sharing octahedral tilt angles are 64°. There are a spread of Sm–Se bond distances ranging from 2.88–3.01 Å. The Sm–O bond length is 2.30 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five Sm3+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to five Sm3+ atoms. O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-755184
- 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; Sm2Se2O; O-Se-Sm
- OSTI Identifier:
- 1289828
- DOI:
- https://doi.org/10.17188/1289828
Citation Formats
The Materials Project. Materials Data on Sm2Se2O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289828.
The Materials Project. Materials Data on Sm2Se2O by Materials Project. United States. doi:https://doi.org/10.17188/1289828
The Materials Project. 2020.
"Materials Data on Sm2Se2O by Materials Project". United States. doi:https://doi.org/10.17188/1289828. https://www.osti.gov/servlets/purl/1289828. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289828,
title = {Materials Data on Sm2Se2O by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2Se2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 3-coordinate geometry to five Se2- and three equivalent O2- atoms. There are a spread of Sm–Se bond distances ranging from 3.09–3.25 Å. There are one shorter (2.35 Å) and two longer (2.36 Å) Sm–O bond lengths. In the second Sm3+ site, Sm3+ is bonded to five Se2- and one O2- atom to form a mixture of distorted edge and corner-sharing SmSe5O octahedra. The corner-sharing octahedral tilt angles are 64°. There are a spread of Sm–Se bond distances ranging from 2.88–3.01 Å. The Sm–O bond length is 2.30 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five Sm3+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to five Sm3+ atoms. O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra.},
doi = {10.17188/1289828},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}