U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y6Mn11S20 by Materials Project
Abstract
Y6Mn11S20 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.70–3.34 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Y–S bond distances ranging from 2.61–3.04 Å. In the third Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Y–S bond distances ranging from 2.60–3.08 Å. There are six inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a distorted square co-planar geometry to four S2- atoms. There are a spread of Mn–S bond distances ranging from 2.41–2.57 Å. In the second Mn2+ site, Mn2+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Mn–S bond distances ranging from 2.43–2.54 Å. In the third Mn2+ site, Mn2+ is bonded in a distorted square co-planar geometry to four S2- atoms. There are a spread of Mn–S bond distances ranging from 2.45–2.56 Å. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1100893
- 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; Y6Mn11S20; Mn-S-Y
- OSTI Identifier:
- 1687995
- DOI:
- https://doi.org/10.17188/1687995
Citation Formats
The Materials Project. Materials Data on Y6Mn11S20 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1687995.
The Materials Project. Materials Data on Y6Mn11S20 by Materials Project. United States. doi:https://doi.org/10.17188/1687995
The Materials Project. 2018.
"Materials Data on Y6Mn11S20 by Materials Project". United States. doi:https://doi.org/10.17188/1687995. https://www.osti.gov/servlets/purl/1687995. Pub date:Fri Jul 13 00:00:00 EDT 2018
@article{osti_1687995,
title = {Materials Data on Y6Mn11S20 by Materials Project},
author = {The Materials Project},
abstractNote = {Y6Mn11S20 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.70–3.34 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Y–S bond distances ranging from 2.61–3.04 Å. In the third Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Y–S bond distances ranging from 2.60–3.08 Å. There are six inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a distorted square co-planar geometry to four S2- atoms. There are a spread of Mn–S bond distances ranging from 2.41–2.57 Å. In the second Mn2+ site, Mn2+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Mn–S bond distances ranging from 2.43–2.54 Å. In the third Mn2+ site, Mn2+ is bonded in a distorted square co-planar geometry to four S2- atoms. There are a spread of Mn–S bond distances ranging from 2.45–2.56 Å. In the fourth Mn2+ site, Mn2+ is bonded in a distorted square co-planar geometry to four S2- atoms. There are a spread of Mn–S bond distances ranging from 2.41–2.56 Å. In the fifth Mn2+ site, Mn2+ is bonded in a distorted square co-planar geometry to four S2- atoms. There are two shorter (2.44 Å) and two longer (2.56 Å) Mn–S bond lengths. In the sixth Mn2+ site, Mn2+ is bonded in a distorted square co-planar geometry to four S2- atoms. There are a spread of Mn–S bond distances ranging from 2.44–2.57 Å. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded to four Y3+ and one Mn2+ atom to form distorted SY4Mn trigonal bipyramids that share corners with seven SY4Mn trigonal bipyramids and edges with three equivalent SY5 trigonal bipyramids. In the second S2- site, S2- is bonded to five Y3+ atoms to form distorted SY5 trigonal bipyramids that share corners with seven SY5 trigonal bipyramids and edges with six SY4Mn trigonal bipyramids. In the third S2- site, S2- is bonded in a linear geometry to two Y3+ atoms. In the fourth S2- site, S2- is bonded to five Y3+ atoms to form distorted SY5 trigonal bipyramids that share corners with eight SY4Mn trigonal bipyramids and edges with six SY5 trigonal bipyramids. In the fifth S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Y3+ and two Mn2+ atoms. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to one Y3+ and three Mn2+ atoms. In the seventh S2- site, S2- is bonded in a distorted square co-planar geometry to four Mn2+ atoms. In the eighth S2- site, S2- is bonded in a distorted square co-planar geometry to four Mn2+ atoms. In the ninth S2- site, S2- is bonded in a distorted square co-planar geometry to four Mn2+ atoms. In the tenth S2- site, S2- is bonded in a distorted square co-planar geometry to four Mn2+ atoms.},
doi = {10.17188/1687995},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}