U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr7Y6OF30 by Materials Project
Abstract
Sr7Y6F30O crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Sr–F bond distances ranging from 2.47–3.05 Å. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Sr–F bond distances ranging from 2.51–2.93 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are three shorter (2.55 Å) and three longer (2.57 Å) Sr–F bond lengths. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 9-coordinate geometry to one O2- and eight F1- atoms. The Y–O bond length is 2.24 Å. There are a spread of Y–F bond distances ranging from 2.27–2.65 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.25–2.32 Å. O2- is bonded in a trigonal non-coplanar geometry to three equivalent Y3+ atoms. There are ten inequivalent F1- sites. In the first F1- site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1218554
- 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; Sr7Y6OF30; F-O-Sr-Y
- OSTI Identifier:
- 1672280
- DOI:
- https://doi.org/10.17188/1672280
Citation Formats
The Materials Project. Materials Data on Sr7Y6OF30 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672280.
The Materials Project. Materials Data on Sr7Y6OF30 by Materials Project. United States. doi:https://doi.org/10.17188/1672280
The Materials Project. 2020.
"Materials Data on Sr7Y6OF30 by Materials Project". United States. doi:https://doi.org/10.17188/1672280. https://www.osti.gov/servlets/purl/1672280. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1672280,
title = {Materials Data on Sr7Y6OF30 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr7Y6F30O crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Sr–F bond distances ranging from 2.47–3.05 Å. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Sr–F bond distances ranging from 2.51–2.93 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are three shorter (2.55 Å) and three longer (2.57 Å) Sr–F bond lengths. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 9-coordinate geometry to one O2- and eight F1- atoms. The Y–O bond length is 2.24 Å. There are a spread of Y–F bond distances ranging from 2.27–2.65 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.25–2.32 Å. O2- is bonded in a trigonal non-coplanar geometry to three equivalent Y3+ atoms. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Sr2+ and two Y3+ atoms to form a mixture of distorted edge and corner-sharing FSr2Y2 tetrahedra. In the second F1- site, F1- is bonded to two equivalent Sr2+ and two Y3+ atoms to form a mixture of distorted edge and corner-sharing FSr2Y2 tetrahedra. In the third F1- site, F1- is bonded to three Sr2+ and one Y3+ atom to form FSr3Y tetrahedra that share corners with ten FSr2Y2 tetrahedra and edges with five FSr3Y tetrahedra. In the fourth F1- site, F1- is bonded to three Sr2+ and one Y3+ atom to form a mixture of edge and corner-sharing FSr3Y tetrahedra. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and two equivalent Y3+ atoms. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to one Sr2+ and two equivalent Y3+ atoms. In the seventh F1- site, F1- is bonded in a 2-coordinate geometry to two Sr2+ and two Y3+ atoms. In the eighth F1- site, F1- is bonded in a 2-coordinate geometry to two Sr2+ and two Y3+ atoms. In the ninth F1- site, F1- is bonded to three Sr2+ and one Y3+ atom to form a mixture of edge and corner-sharing FSr3Y tetrahedra. In the tenth F1- site, F1- is bonded to three Sr2+ and one Y3+ atom to form a mixture of distorted edge and corner-sharing FSr3Y tetrahedra.},
doi = {10.17188/1672280},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}