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Title: Materials Data on NaSr2IO6 by Materials Project

Abstract

NaSr2O6I is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded to six O atoms to form NaO6 octahedra that share corners with six equivalent IO6 octahedra. The corner-sharing octahedra tilt angles range from 23–26°. There are four shorter (2.32 Å) and two longer (2.35 Å) Na–O bond lengths. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.89 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to one Na, three equivalent Sr, and one I atom. The O–I bond length is 1.91 Å. In the second O site, O is bonded in a distorted see-saw-like geometry to one Na, two equivalent Sr, and one I atom. The O–I bond length is 1.91 Å. In the third O site, O is bonded in a 5-coordinate geometry to one Na, three equivalent Sr, and one I atom. The O–I bond length is 1.91 Å. I is bonded to six O atoms to form IO6 octahedra that share corners with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles rangemore » from 23–26°.« less

Publication Date:
Other Number(s):
mp-1106050
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; NaSr2IO6; I-Na-O-Sr
OSTI Identifier:
1663985
DOI:
https://doi.org/10.17188/1663985

Citation Formats

The Materials Project. Materials Data on NaSr2IO6 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1663985.
The Materials Project. Materials Data on NaSr2IO6 by Materials Project. United States. doi:https://doi.org/10.17188/1663985
The Materials Project. 2018. "Materials Data on NaSr2IO6 by Materials Project". United States. doi:https://doi.org/10.17188/1663985. https://www.osti.gov/servlets/purl/1663985. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1663985,
title = {Materials Data on NaSr2IO6 by Materials Project},
author = {The Materials Project},
abstractNote = {NaSr2O6I is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded to six O atoms to form NaO6 octahedra that share corners with six equivalent IO6 octahedra. The corner-sharing octahedra tilt angles range from 23–26°. There are four shorter (2.32 Å) and two longer (2.35 Å) Na–O bond lengths. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.89 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to one Na, three equivalent Sr, and one I atom. The O–I bond length is 1.91 Å. In the second O site, O is bonded in a distorted see-saw-like geometry to one Na, two equivalent Sr, and one I atom. The O–I bond length is 1.91 Å. In the third O site, O is bonded in a 5-coordinate geometry to one Na, three equivalent Sr, and one I atom. The O–I bond length is 1.91 Å. I is bonded to six O atoms to form IO6 octahedra that share corners with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 23–26°.},
doi = {10.17188/1663985},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}