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Title: Materials Data on SrNd2O4 by Materials Project

Abstract

SrNd2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.68–3.03 Å. There are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 51–67°. There are a spread of Nd–O bond distances ranging from 2.29–2.50 Å. In the second Nd3+ site, Nd3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 51–67°. There are a spread of Nd–O bond distances ranging from 2.34–2.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Nd3+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Nd3+ atoms to form a mixture of distorted corner and edge-sharing OSr2Nd3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Nd3+ atoms to form amore » mixture of corner and edge-sharing OSr2Nd3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Nd3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-755405
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; SrNd2O4; Nd-O-Sr
OSTI Identifier:
1289980
DOI:
https://doi.org/10.17188/1289980

Citation Formats

The Materials Project. Materials Data on SrNd2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289980.
The Materials Project. Materials Data on SrNd2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1289980
The Materials Project. 2020. "Materials Data on SrNd2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1289980. https://www.osti.gov/servlets/purl/1289980. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1289980,
title = {Materials Data on SrNd2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrNd2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.68–3.03 Å. There are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 51–67°. There are a spread of Nd–O bond distances ranging from 2.29–2.50 Å. In the second Nd3+ site, Nd3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 51–67°. There are a spread of Nd–O bond distances ranging from 2.34–2.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Nd3+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Nd3+ atoms to form a mixture of distorted corner and edge-sharing OSr2Nd3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Nd3+ atoms to form a mixture of corner and edge-sharing OSr2Nd3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Nd3+ atoms.},
doi = {10.17188/1289980},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}