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Title: Materials Data on NaY2F7 by Materials Project

Abstract

NaY2F7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.19–2.84 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to eight F1- atoms to form a mixture of distorted corner and edge-sharing YF8 hexagonal bipyramids. There are a spread of Y–F bond distances ranging from 2.19–2.53 Å. In the second Y3+ site, Y3+ is bonded to eight F1- atoms to form a mixture of distorted corner and edge-sharing YF8 hexagonal bipyramids. There are a spread of Y–F bond distances ranging from 2.19–2.53 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Y3+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to one Na1+ and three equivalent Y3+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two Y3+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Y3+ atoms. In the fifth F1- site, F1- is bonded in a 4-coordinatemore » geometry to three equivalent Na1+ and one Y3+ atom. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one Y3+ atom. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to one Na1+ and three equivalent Y3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-675778
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; NaY2F7; F-Na-Y
OSTI Identifier:
1282840
DOI:
https://doi.org/10.17188/1282840

Citation Formats

The Materials Project. Materials Data on NaY2F7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282840.
The Materials Project. Materials Data on NaY2F7 by Materials Project. United States. doi:https://doi.org/10.17188/1282840
The Materials Project. 2020. "Materials Data on NaY2F7 by Materials Project". United States. doi:https://doi.org/10.17188/1282840. https://www.osti.gov/servlets/purl/1282840. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1282840,
title = {Materials Data on NaY2F7 by Materials Project},
author = {The Materials Project},
abstractNote = {NaY2F7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.19–2.84 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to eight F1- atoms to form a mixture of distorted corner and edge-sharing YF8 hexagonal bipyramids. There are a spread of Y–F bond distances ranging from 2.19–2.53 Å. In the second Y3+ site, Y3+ is bonded to eight F1- atoms to form a mixture of distorted corner and edge-sharing YF8 hexagonal bipyramids. There are a spread of Y–F bond distances ranging from 2.19–2.53 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Y3+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to one Na1+ and three equivalent Y3+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two Y3+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Y3+ atoms. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one Y3+ atom. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one Y3+ atom. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to one Na1+ and three equivalent Y3+ atoms.},
doi = {10.17188/1282840},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}