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Title: Materials Data on NaSr3GdP3O12F by Materials Project

Abstract

Sr3GdNa(PO4)3F crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.48 Å) and three longer (2.58 Å) Na–O bond lengths. Sr2+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Sr–O bond distances ranging from 2.48–3.04 Å. The Sr–F bond length is 2.43 Å. Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.42–2.58 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Gd3+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Sr2+, one Gd3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Sr2+, one Gd3+, and one P5+ atom. In the fourth O2- site, O2- is bondedmore » in a 1-coordinate geometry to three equivalent Sr2+ and one P5+ atom. F1- is bonded in a trigonal planar geometry to three equivalent Sr2+ atoms.« less

Publication Date:
Other Number(s):
mp-1204493
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; NaSr3GdP3O12F; F-Gd-Na-O-P-Sr
OSTI Identifier:
1729451
DOI:
https://doi.org/10.17188/1729451

Citation Formats

The Materials Project. Materials Data on NaSr3GdP3O12F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729451.
The Materials Project. Materials Data on NaSr3GdP3O12F by Materials Project. United States. doi:https://doi.org/10.17188/1729451
The Materials Project. 2020. "Materials Data on NaSr3GdP3O12F by Materials Project". United States. doi:https://doi.org/10.17188/1729451. https://www.osti.gov/servlets/purl/1729451. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1729451,
title = {Materials Data on NaSr3GdP3O12F by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3GdNa(PO4)3F crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.48 Å) and three longer (2.58 Å) Na–O bond lengths. Sr2+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Sr–O bond distances ranging from 2.48–3.04 Å. The Sr–F bond length is 2.43 Å. Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.42–2.58 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Gd3+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Sr2+, one Gd3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Sr2+, one Gd3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sr2+ and one P5+ atom. F1- is bonded in a trigonal planar geometry to three equivalent Sr2+ atoms.},
doi = {10.17188/1729451},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}