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Title: Materials Data on NaLa6OsI12 by Materials Project

Abstract

NaLa6(Os)I12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent I1- atoms to form NaI6 octahedra that share edges with six equivalent LaOsI5 octahedra. All Na–I bond lengths are 3.24 Å. La+2.17+ is bonded to one Os2- and five I1- atoms to form LaOsI5 octahedra that share corners with three equivalent LaOsI5 octahedra, an edgeedge with one NaI6 octahedra, and edges with five equivalent LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. The La–Os bond length is 2.89 Å. There are a spread of La–I bond distances ranging from 3.23–3.49 Å. Os2- is bonded in an octahedral geometry to six equivalent La+2.17+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to one Na1+ and two equivalent La+2.17+ atoms. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent La+2.17+ atoms.

Publication Date:
Other Number(s):
mp-569905
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; NaLa6OsI12; I-La-Na-Os
OSTI Identifier:
1275333
DOI:
https://doi.org/10.17188/1275333

Citation Formats

The Materials Project. Materials Data on NaLa6OsI12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275333.
The Materials Project. Materials Data on NaLa6OsI12 by Materials Project. United States. doi:https://doi.org/10.17188/1275333
The Materials Project. 2020. "Materials Data on NaLa6OsI12 by Materials Project". United States. doi:https://doi.org/10.17188/1275333. https://www.osti.gov/servlets/purl/1275333. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1275333,
title = {Materials Data on NaLa6OsI12 by Materials Project},
author = {The Materials Project},
abstractNote = {NaLa6(Os)I12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent I1- atoms to form NaI6 octahedra that share edges with six equivalent LaOsI5 octahedra. All Na–I bond lengths are 3.24 Å. La+2.17+ is bonded to one Os2- and five I1- atoms to form LaOsI5 octahedra that share corners with three equivalent LaOsI5 octahedra, an edgeedge with one NaI6 octahedra, and edges with five equivalent LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. The La–Os bond length is 2.89 Å. There are a spread of La–I bond distances ranging from 3.23–3.49 Å. Os2- is bonded in an octahedral geometry to six equivalent La+2.17+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to one Na1+ and two equivalent La+2.17+ atoms. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent La+2.17+ atoms.},
doi = {10.17188/1275333},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}