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Title: Materials Data on SrSn(PO4)2 by Materials Project

Abstract

SrSn(PO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.99 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.03–2.10 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 41–50°. There are a spread of P–O bond distances ranging from 1.52–1.58 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Sn4+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Sn4+, and one P5+ atom.

Publication Date:
Other Number(s):
mp-862718
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; SrSn(PO4)2; O-P-Sn-Sr
OSTI Identifier:
1309559
DOI:
10.17188/1309559

Citation Formats

The Materials Project. Materials Data on SrSn(PO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1309559.
The Materials Project. Materials Data on SrSn(PO4)2 by Materials Project. United States. doi:10.17188/1309559.
The Materials Project. 2020. "Materials Data on SrSn(PO4)2 by Materials Project". United States. doi:10.17188/1309559. https://www.osti.gov/servlets/purl/1309559. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1309559,
title = {Materials Data on SrSn(PO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrSn(PO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.99 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.03–2.10 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 41–50°. There are a spread of P–O bond distances ranging from 1.52–1.58 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Sn4+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Sn4+, and one P5+ atom.},
doi = {10.17188/1309559},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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