Materials Data on Sm2Se3 by Materials Project
Abstract
Sm2Se3 is Stibnite structured and 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 7-coordinate geometry to eight Se2- atoms. There are a spread of Sm–Se bond distances ranging from 3.03–3.50 Å. In the second Sm3+ site, Sm3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing SmSe7 pentagonal bipyramids. There are a spread of Sm–Se bond distances ranging from 2.94–3.02 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Sm3+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 square pyramids. In the second Se2- site, Se2- is bonded to five Sm3+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 trigonal bipyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Sm3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-15081
- 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; Sm2Se3; Se-Sm
- OSTI Identifier:
- 1191019
- DOI:
- https://doi.org/10.17188/1191019
Citation Formats
The Materials Project. Materials Data on Sm2Se3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1191019.
The Materials Project. Materials Data on Sm2Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1191019
The Materials Project. 2020.
"Materials Data on Sm2Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1191019. https://www.osti.gov/servlets/purl/1191019. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1191019,
title = {Materials Data on Sm2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2Se3 is Stibnite structured and 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 7-coordinate geometry to eight Se2- atoms. There are a spread of Sm–Se bond distances ranging from 3.03–3.50 Å. In the second Sm3+ site, Sm3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing SmSe7 pentagonal bipyramids. There are a spread of Sm–Se bond distances ranging from 2.94–3.02 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Sm3+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 square pyramids. In the second Se2- site, Se2- is bonded to five Sm3+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 trigonal bipyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Sm3+ atoms.},
doi = {10.17188/1191019},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}