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Title: Materials Data on NaSrGaF6 by Materials Project

Abstract

NaSrGaF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.25–2.43 Å. Sr2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Sr–F bond distances ranging from 2.41–2.75 Å. Ga3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Ga–F bond distances ranging from 1.91–1.95 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Na1+, one Sr2+, and one Ga3+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Sr2+, and one Ga3+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+, one Sr2+, and one Ga3+ atom. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one Ga3+ atom. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Na1+, one Sr2+, and one Ga3+ atom. In the sixth F1-more » site, F1- is bonded in a distorted trigonal planar geometry to one Na1+, one Sr2+, and one Ga3+ atom.« less

Publication Date:
Other Number(s):
mp-1210031
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NaSrGaF6; F-Ga-Na-Sr
OSTI Identifier:
1716846
DOI:
https://doi.org/10.17188/1716846

Citation Formats

The Materials Project. Materials Data on NaSrGaF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1716846.
The Materials Project. Materials Data on NaSrGaF6 by Materials Project. United States. doi:https://doi.org/10.17188/1716846
The Materials Project. 2020. "Materials Data on NaSrGaF6 by Materials Project". United States. doi:https://doi.org/10.17188/1716846. https://www.osti.gov/servlets/purl/1716846. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1716846,
title = {Materials Data on NaSrGaF6 by Materials Project},
author = {The Materials Project},
abstractNote = {NaSrGaF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.25–2.43 Å. Sr2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Sr–F bond distances ranging from 2.41–2.75 Å. Ga3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Ga–F bond distances ranging from 1.91–1.95 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Na1+, one Sr2+, and one Ga3+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Sr2+, and one Ga3+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+, one Sr2+, and one Ga3+ atom. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one Ga3+ atom. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Na1+, one Sr2+, and one Ga3+ atom. In the sixth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Na1+, one Sr2+, and one Ga3+ atom.},
doi = {10.17188/1716846},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}