Materials Data on Sn2Mo15Se19 by Materials Project
Abstract
Mo15Sn2Se19 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are three inequivalent Mo+2.27+ sites. In the first Mo+2.27+ site, Mo+2.27+ is bonded in a see-saw-like geometry to four Se2- atoms. There are two shorter (2.58 Å) and two longer (2.61 Å) Mo–Se bond lengths. In the second Mo+2.27+ site, Mo+2.27+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.58–2.66 Å. In the third Mo+2.27+ site, Mo+2.27+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.56–2.75 Å. Sn2+ is bonded in a 3-coordinate geometry to three equivalent Se2- atoms. All Sn–Se bond lengths are 3.11 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 7-coordinate geometry to three equivalent Mo+2.27+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four Mo+2.27+ atoms. In the third Se2- site, Se2- is bonded in a 7-coordinate geometry to three equivalent Mo+2.27+ atoms. In the fourth Se2- site, Se2- ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199886
- 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; Sn2Mo15Se19; Mo-Se-Sn
- OSTI Identifier:
- 1682787
- DOI:
- https://doi.org/10.17188/1682787
Citation Formats
The Materials Project. Materials Data on Sn2Mo15Se19 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1682787.
The Materials Project. Materials Data on Sn2Mo15Se19 by Materials Project. United States. doi:https://doi.org/10.17188/1682787
The Materials Project. 2020.
"Materials Data on Sn2Mo15Se19 by Materials Project". United States. doi:https://doi.org/10.17188/1682787. https://www.osti.gov/servlets/purl/1682787. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1682787,
title = {Materials Data on Sn2Mo15Se19 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo15Sn2Se19 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are three inequivalent Mo+2.27+ sites. In the first Mo+2.27+ site, Mo+2.27+ is bonded in a see-saw-like geometry to four Se2- atoms. There are two shorter (2.58 Å) and two longer (2.61 Å) Mo–Se bond lengths. In the second Mo+2.27+ site, Mo+2.27+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.58–2.66 Å. In the third Mo+2.27+ site, Mo+2.27+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.56–2.75 Å. Sn2+ is bonded in a 3-coordinate geometry to three equivalent Se2- atoms. All Sn–Se bond lengths are 3.11 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 7-coordinate geometry to three equivalent Mo+2.27+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four Mo+2.27+ atoms. In the third Se2- site, Se2- is bonded in a 7-coordinate geometry to three equivalent Mo+2.27+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Mo+2.27+ and one Sn2+ atom. In the fifth Se2- site, Se2- is bonded in a 4-coordinate geometry to four Mo+2.27+ atoms.},
doi = {10.17188/1682787},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}