U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm4GaSbS9 by Materials Project
Abstract
Sm4GaSbS9 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. there are four inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sm–S bond distances ranging from 2.75–3.07 Å. In the second Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sm–S bond distances ranging from 2.76–2.91 Å. In the third Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sm–S bond distances ranging from 2.76–2.89 Å. In the fourth Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sm–S bond distances ranging from 2.76–2.86 Å. Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.30–2.33 Å. Sb3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–2.85 Å. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199065
- 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; Sm4GaSbS9; Ga-S-Sb-Sm
- OSTI Identifier:
- 1676060
- DOI:
- https://doi.org/10.17188/1676060
Citation Formats
The Materials Project. Materials Data on Sm4GaSbS9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1676060.
The Materials Project. Materials Data on Sm4GaSbS9 by Materials Project. United States. doi:https://doi.org/10.17188/1676060
The Materials Project. 2020.
"Materials Data on Sm4GaSbS9 by Materials Project". United States. doi:https://doi.org/10.17188/1676060. https://www.osti.gov/servlets/purl/1676060. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1676060,
title = {Materials Data on Sm4GaSbS9 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm4GaSbS9 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. there are four inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sm–S bond distances ranging from 2.75–3.07 Å. In the second Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sm–S bond distances ranging from 2.76–2.91 Å. In the third Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sm–S bond distances ranging from 2.76–2.89 Å. In the fourth Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sm–S bond distances ranging from 2.76–2.86 Å. Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.30–2.33 Å. Sb3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–2.85 Å. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent Ga3+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to two Sm3+ and one Ga3+ atom. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Sm3+ atoms. In the fourth S2- site, S2- is bonded to four Sm3+ atoms to form a mixture of distorted edge and corner-sharing SSm4 trigonal pyramids. In the fifth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Sm3+ atoms. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Sm3+ and one Sb3+ atom. In the seventh S2- site, S2- is bonded to four Sm3+ atoms to form a mixture of distorted edge and corner-sharing SSm4 trigonal pyramids. In the eighth S2- site, S2- is bonded in a 3-coordinate geometry to one Sm3+ and two equivalent Sb3+ atoms. In the ninth S2- site, S2- is bonded in a 4-coordinate geometry to two Sm3+, one Ga3+, and one Sb3+ atom. In the tenth S2- site, S2- is bonded in a 4-coordinate geometry to three Sm3+ and one Ga3+ atom.},
doi = {10.17188/1676060},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}