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Title: Materials Data on NaNd(SeO5)2 by Materials Project

Abstract

NaNd(SeO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.40–2.94 Å. Nd is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Nd–O bond distances ranging from 2.38–2.86 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.66–1.70 Å. In the second Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.66–1.68 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Na, one Nd, and one Se atom. In the second O site, O is bonded in a 2-coordinate geometry to one Na, one Nd, and one Se atom. In the third O site, O is bonded in a 3-coordinate geometry to one Na, one Nd, and one Se atom. In the fourth O site, O is bonded in a distortedmore » bent 150 degrees geometry to one Nd and one Se atom. In the fifth O site, O is bonded in a single-bond geometry to one Se atom. In the sixth O site, O is bonded in a single-bond geometry to one Nd atom. In the seventh O site, O is bonded in a 2-coordinate geometry to one Na, one Nd, and one Se atom. In the eighth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Na, one Nd, and one Se atom. In the ninth O site, O is bonded in a 4-coordinate geometry to two equivalent Na, one Nd, and one Se atom. In the tenth O site, O is bonded in a bent 120 degrees geometry to one Na and one Nd atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1210496
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; NaNd(SeO5)2; Na-Nd-O-Se
OSTI Identifier:
1717784
DOI:
https://doi.org/10.17188/1717784

Citation Formats

The Materials Project. Materials Data on NaNd(SeO5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1717784.
The Materials Project. Materials Data on NaNd(SeO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1717784
The Materials Project. 2020. "Materials Data on NaNd(SeO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1717784. https://www.osti.gov/servlets/purl/1717784. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1717784,
title = {Materials Data on NaNd(SeO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNd(SeO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.40–2.94 Å. Nd is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Nd–O bond distances ranging from 2.38–2.86 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.66–1.70 Å. In the second Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.66–1.68 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Na, one Nd, and one Se atom. In the second O site, O is bonded in a 2-coordinate geometry to one Na, one Nd, and one Se atom. In the third O site, O is bonded in a 3-coordinate geometry to one Na, one Nd, and one Se atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Nd and one Se atom. In the fifth O site, O is bonded in a single-bond geometry to one Se atom. In the sixth O site, O is bonded in a single-bond geometry to one Nd atom. In the seventh O site, O is bonded in a 2-coordinate geometry to one Na, one Nd, and one Se atom. In the eighth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Na, one Nd, and one Se atom. In the ninth O site, O is bonded in a 4-coordinate geometry to two equivalent Na, one Nd, and one Se atom. In the tenth O site, O is bonded in a bent 120 degrees geometry to one Na and one Nd atom.},
doi = {10.17188/1717784},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}