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Title: Materials Data on Nd3SbO7 by Materials Project

Abstract

Nd3SbO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.41–2.74 Å. In the second Nd3+ site, Nd3+ is bonded to seven O2- atoms to form distorted NdO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, a cornercorner with one NdO7 pentagonal bipyramid, edges with two equivalent SbO6 octahedra, and edges with three equivalent NdO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are a spread of Nd–O bond distances ranging from 2.31–2.61 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent NdO7 pentagonal bipyramids, and edges with four equivalent NdO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are four shorter (2.01 Å) and two longer (2.06 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Nd3+ and one Sb5+ atom. In the second O2- site, O2- ismore » bonded in a 4-coordinate geometry to two equivalent Nd3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded to four Nd3+ atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the fourth O2- site, O2- is bonded to four Nd3+ atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-769366
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; Nd3SbO7; Nd-O-Sb
OSTI Identifier:
1298730
DOI:
10.17188/1298730

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Nd3SbO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298730.
Persson, Kristin, & Project, Materials. Materials Data on Nd3SbO7 by Materials Project. United States. doi:10.17188/1298730.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Nd3SbO7 by Materials Project". United States. doi:10.17188/1298730. https://www.osti.gov/servlets/purl/1298730. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1298730,
title = {Materials Data on Nd3SbO7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Nd3SbO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.41–2.74 Å. In the second Nd3+ site, Nd3+ is bonded to seven O2- atoms to form distorted NdO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, a cornercorner with one NdO7 pentagonal bipyramid, edges with two equivalent SbO6 octahedra, and edges with three equivalent NdO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are a spread of Nd–O bond distances ranging from 2.31–2.61 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent NdO7 pentagonal bipyramids, and edges with four equivalent NdO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are four shorter (2.01 Å) and two longer (2.06 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Nd3+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded to four Nd3+ atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the fourth O2- site, O2- is bonded to four Nd3+ atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra.},
doi = {10.17188/1298730},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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