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Title: Materials Data on NaSn2(PO4)3 by Materials Project

Abstract

NaSn2(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.48 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.04 Å) and three longer (2.07 Å) Sn–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 27–39°. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Sn4+, and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn4+ and one P5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-22163
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; NaSn2(PO4)3; Na-O-P-Sn
OSTI Identifier:
1197389
DOI:
10.17188/1197389

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaSn2(PO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197389.
Persson, Kristin, & Project, Materials. Materials Data on NaSn2(PO4)3 by Materials Project. United States. doi:10.17188/1197389.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaSn2(PO4)3 by Materials Project". United States. doi:10.17188/1197389. https://www.osti.gov/servlets/purl/1197389. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1197389,
title = {Materials Data on NaSn2(PO4)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaSn2(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.48 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.04 Å) and three longer (2.07 Å) Sn–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 27–39°. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Sn4+, and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn4+ and one P5+ atom.},
doi = {10.17188/1197389},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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