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Title: Materials Data on YCo3F15 by Materials Project

Abstract

YCo3F15 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Y–F bond distances ranging from 1.98–2.77 Å. There are two inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Co–F bond distances ranging from 1.71–2.09 Å. In the second Co4+ site, Co4+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Co–F bond distances ranging from 1.74–2.42 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to one Y3+ and one F1- atom. The F–F bond length is 1.43 Å. In the second F1- site, F1- is bonded in a single-bond geometry to one F1- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Y3+ atom. In the fourth F1- site, F1- is bonded in a bent 120 degrees geometry to two Co4+ atoms. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one Y3+ and two Co4+ atoms. In themore » sixth F1- site, F1- is bonded in a water-like geometry to two equivalent Co4+ atoms. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Co4+ atom. In the eighth F1- site, F1- is bonded in a linear geometry to one Y3+ and one Co4+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Co4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mvc-6663
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; YCo3F15; Co-F-Y
OSTI Identifier:
1339672
DOI:
https://doi.org/10.17188/1339672

Citation Formats

The Materials Project. Materials Data on YCo3F15 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1339672.
The Materials Project. Materials Data on YCo3F15 by Materials Project. United States. doi:https://doi.org/10.17188/1339672
The Materials Project. 2020. "Materials Data on YCo3F15 by Materials Project". United States. doi:https://doi.org/10.17188/1339672. https://www.osti.gov/servlets/purl/1339672. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1339672,
title = {Materials Data on YCo3F15 by Materials Project},
author = {The Materials Project},
abstractNote = {YCo3F15 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Y–F bond distances ranging from 1.98–2.77 Å. There are two inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Co–F bond distances ranging from 1.71–2.09 Å. In the second Co4+ site, Co4+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Co–F bond distances ranging from 1.74–2.42 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to one Y3+ and one F1- atom. The F–F bond length is 1.43 Å. In the second F1- site, F1- is bonded in a single-bond geometry to one F1- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Y3+ atom. In the fourth F1- site, F1- is bonded in a bent 120 degrees geometry to two Co4+ atoms. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one Y3+ and two Co4+ atoms. In the sixth F1- site, F1- is bonded in a water-like geometry to two equivalent Co4+ atoms. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Co4+ atom. In the eighth F1- site, F1- is bonded in a linear geometry to one Y3+ and one Co4+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Co4+ atom.},
doi = {10.17188/1339672},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}