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Title: Materials Data on Sr2SnO4 by Materials Project

Abstract

Sr2SnO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.92 Å. Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.06 Å) and two longer (2.08 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Sn4+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the second O2- site, O2- is bonded to five equivalent Sr2+ and one Sn4+ atom to form distorted OSr5Sn octahedra that share corners with seventeen OSr4Sn2 octahedra, edges with eight equivalent OSr5Sn octahedra, and faces with four equivalent OSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3376
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; Sr2SnO4; O-Sn-Sr
OSTI Identifier:
1206657
DOI:
10.17188/1206657

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr2SnO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206657.
Persson, Kristin, & Project, Materials. Materials Data on Sr2SnO4 by Materials Project. United States. doi:10.17188/1206657.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sr2SnO4 by Materials Project". United States. doi:10.17188/1206657. https://www.osti.gov/servlets/purl/1206657. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1206657,
title = {Materials Data on Sr2SnO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sr2SnO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.92 Å. Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.06 Å) and two longer (2.08 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Sn4+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the second O2- site, O2- is bonded to five equivalent Sr2+ and one Sn4+ atom to form distorted OSr5Sn octahedra that share corners with seventeen OSr4Sn2 octahedra, edges with eight equivalent OSr5Sn octahedra, and faces with four equivalent OSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°.},
doi = {10.17188/1206657},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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