Materials Data on BaEr2F8 by Materials Project
Abstract
Er2BaF8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded to twelve F1- atoms to form face-sharing BaF12 cuboctahedra. There are a spread of Ba–F bond distances ranging from 2.77–2.96 Å. Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.24–2.32 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Ba2+ and two equivalent Er3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+ and two equivalent Er3+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two equivalent Er3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-12803
- 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; BaEr2F8; Ba-Er-F
- OSTI Identifier:
- 1189206
- DOI:
- https://doi.org/10.17188/1189206
Citation Formats
The Materials Project. Materials Data on BaEr2F8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189206.
The Materials Project. Materials Data on BaEr2F8 by Materials Project. United States. doi:https://doi.org/10.17188/1189206
The Materials Project. 2020.
"Materials Data on BaEr2F8 by Materials Project". United States. doi:https://doi.org/10.17188/1189206. https://www.osti.gov/servlets/purl/1189206. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1189206,
title = {Materials Data on BaEr2F8 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2BaF8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded to twelve F1- atoms to form face-sharing BaF12 cuboctahedra. There are a spread of Ba–F bond distances ranging from 2.77–2.96 Å. Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.24–2.32 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Ba2+ and two equivalent Er3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+ and two equivalent Er3+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two equivalent Er3+ atoms.},
doi = {10.17188/1189206},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}