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Title: Materials Data on Y6O5F8 by Materials Project

Abstract

Y6O5F8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to three O2- and four F1- atoms. There are a spread of Y–O bond distances ranging from 2.20–2.29 Å. There are a spread of Y–F bond distances ranging from 2.33–2.39 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to four O2- and four F1- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.33 Å. There are a spread of Y–F bond distances ranging from 2.42–2.52 Å. In the third Y3+ site, Y3+ is bonded in a 7-coordinate geometry to three O2- and four F1- atoms. There are two shorter (2.23 Å) and one longer (2.30 Å) Y–O bond lengths. There are a spread of Y–F bond distances ranging from 2.23–2.59 Å. In the fourth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to three O2- and five F1- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.38 Å. There are a spread of Y–F bond distances ranging from 2.35–2.50 Å. In the fifth Y3+ site, Y3+ is bondedmore » in a 8-coordinate geometry to three O2- and five F1- atoms. There are a spread of Y–O bond distances ranging from 2.31–2.33 Å. There are a spread of Y–F bond distances ranging from 2.27–2.47 Å. In the sixth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to four O2- and three F1- atoms. There are a spread of Y–O bond distances ranging from 2.22–2.39 Å. There are a spread of Y–F bond distances ranging from 2.30–2.63 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 tetrahedra. In the third O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 tetrahedra. In the fourth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 tetrahedra. In the fifth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 tetrahedra. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three Y3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three Y3+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three Y3+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Y3+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to three Y3+ atoms. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the seventh F1- site, F1- is bonded in a 3-coordinate geometry to three Y3+ atoms. In the eighth F1- site, F1- is bonded in a 3-coordinate geometry to three Y3+ atoms.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1283114
Report Number(s):
mp-676605
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Y6O5F8; F-O-Y

Citation Formats

The Materials Project. Materials Data on Y6O5F8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283114.
The Materials Project. Materials Data on Y6O5F8 by Materials Project. United States. https://doi.org/10.17188/1283114
The Materials Project. 2020. "Materials Data on Y6O5F8 by Materials Project". United States. https://doi.org/10.17188/1283114. https://www.osti.gov/servlets/purl/1283114.
@article{osti_1283114,
title = {Materials Data on Y6O5F8 by Materials Project},
author = {The Materials Project},
abstractNote = {Y6O5F8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to three O2- and four F1- atoms. There are a spread of Y–O bond distances ranging from 2.20–2.29 Å. There are a spread of Y–F bond distances ranging from 2.33–2.39 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to four O2- and four F1- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.33 Å. There are a spread of Y–F bond distances ranging from 2.42–2.52 Å. In the third Y3+ site, Y3+ is bonded in a 7-coordinate geometry to three O2- and four F1- atoms. There are two shorter (2.23 Å) and one longer (2.30 Å) Y–O bond lengths. There are a spread of Y–F bond distances ranging from 2.23–2.59 Å. In the fourth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to three O2- and five F1- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.38 Å. There are a spread of Y–F bond distances ranging from 2.35–2.50 Å. In the fifth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to three O2- and five F1- atoms. There are a spread of Y–O bond distances ranging from 2.31–2.33 Å. There are a spread of Y–F bond distances ranging from 2.27–2.47 Å. In the sixth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to four O2- and three F1- atoms. There are a spread of Y–O bond distances ranging from 2.22–2.39 Å. There are a spread of Y–F bond distances ranging from 2.30–2.63 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 tetrahedra. In the third O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 tetrahedra. In the fourth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 tetrahedra. In the fifth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 tetrahedra. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three Y3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three Y3+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three Y3+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Y3+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to three Y3+ atoms. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the seventh F1- site, F1- is bonded in a 3-coordinate geometry to three Y3+ atoms. In the eighth F1- site, F1- is bonded in a 3-coordinate geometry to three Y3+ atoms.},
doi = {10.17188/1283114},
url = {https://www.osti.gov/biblio/1283114}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}