DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Na4XeO12 by Materials Project

Abstract

XeNa4O12 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Xe is bonded in a linear geometry to two equivalent O atoms. Both Xe–O bond lengths are 2.16 Å. There are two inequivalent Na sites. In the first Na site, Na is bonded in a 7-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.32–3.00 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.36–3.03 Å. There are six inequivalent O sites. In the first O site, O is bonded to one Xe and three Na atoms to form corner-sharing ONa3Xe tetrahedra. In the second O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Na and one O atom. The O–O bond length is 1.28 Å. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent Na atoms. In the fourth O site, O is bonded in a distorted rectangular see-saw-like geometry to three Na and one O atom. The O–O bond length is 1.27 Å. In the fifth O site, Omore » is bonded in a distorted bent 120 degrees geometry to two equivalent Na and one O atom. In the sixth O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Na and one O atom.« less

Publication Date:
Other Number(s):
mp-1180587
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; Na4XeO12; Na-O-Xe
OSTI Identifier:
1729471
DOI:
https://doi.org/10.17188/1729471

Citation Formats

The Materials Project. Materials Data on Na4XeO12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729471.
The Materials Project. Materials Data on Na4XeO12 by Materials Project. United States. doi:https://doi.org/10.17188/1729471
The Materials Project. 2020. "Materials Data on Na4XeO12 by Materials Project". United States. doi:https://doi.org/10.17188/1729471. https://www.osti.gov/servlets/purl/1729471. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1729471,
title = {Materials Data on Na4XeO12 by Materials Project},
author = {The Materials Project},
abstractNote = {XeNa4O12 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Xe is bonded in a linear geometry to two equivalent O atoms. Both Xe–O bond lengths are 2.16 Å. There are two inequivalent Na sites. In the first Na site, Na is bonded in a 7-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.32–3.00 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.36–3.03 Å. There are six inequivalent O sites. In the first O site, O is bonded to one Xe and three Na atoms to form corner-sharing ONa3Xe tetrahedra. In the second O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Na and one O atom. The O–O bond length is 1.28 Å. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent Na atoms. In the fourth O site, O is bonded in a distorted rectangular see-saw-like geometry to three Na and one O atom. The O–O bond length is 1.27 Å. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Na and one O atom. In the sixth O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Na and one O atom.},
doi = {10.17188/1729471},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}