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

Title: Materials Data on Na5Nd4Si4O17 by Materials Project

Abstract

Na5Nd4Si4O17 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.46–2.95 Å. In the second Na site, Na is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Na–O bond distances ranging from 2.67–2.93 Å. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.65 Å. Si is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Na, two equivalent Nd, and one Si atom. In the second O site, O is bonded in a 1-coordinate geometry to two Na, two equivalent Nd, and one Si atom. In the third O site, O is bonded to two equivalent Na and four equivalent Nd atoms to form corner-sharing ONa2Nd4 octahedra. The corner-sharing octahedral tilt angles aremore » 0°. In the fourth O site, O is bonded in a 1-coordinate geometry to two Na, two equivalent Nd, and one Si atom. In the fifth O site, O is bonded in a 1-coordinate geometry to four equivalent Na, one Nd, and one Si atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1193130
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Na5Nd4Si4O17; Na-Nd-O-Si
OSTI Identifier:
1753459
DOI:
https://doi.org/10.17188/1753459

Citation Formats

The Materials Project. Materials Data on Na5Nd4Si4O17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753459.
The Materials Project. Materials Data on Na5Nd4Si4O17 by Materials Project. United States. doi:https://doi.org/10.17188/1753459
The Materials Project. 2020. "Materials Data on Na5Nd4Si4O17 by Materials Project". United States. doi:https://doi.org/10.17188/1753459. https://www.osti.gov/servlets/purl/1753459. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1753459,
title = {Materials Data on Na5Nd4Si4O17 by Materials Project},
author = {The Materials Project},
abstractNote = {Na5Nd4Si4O17 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.46–2.95 Å. In the second Na site, Na is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Na–O bond distances ranging from 2.67–2.93 Å. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.65 Å. Si is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Na, two equivalent Nd, and one Si atom. In the second O site, O is bonded in a 1-coordinate geometry to two Na, two equivalent Nd, and one Si atom. In the third O site, O is bonded to two equivalent Na and four equivalent Nd atoms to form corner-sharing ONa2Nd4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O site, O is bonded in a 1-coordinate geometry to two Na, two equivalent Nd, and one Si atom. In the fifth O site, O is bonded in a 1-coordinate geometry to four equivalent Na, one Nd, and one Si atom.},
doi = {10.17188/1753459},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}