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Title: Materials Data on NaPrO2 by Materials Project

Abstract

NaPrO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Na1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.43 Å. Pr3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing PrO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are four shorter (2.43 Å) and two longer (2.45 Å) Pr–O bond lengths. O2- is bonded to two equivalent Na1+ and three equivalent Pr3+ atoms to form a mixture of distorted edge and corner-sharing ONa2Pr3 square pyramids.

Publication Date:
Other Number(s):
mp-8470
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; NaPrO2; Na-O-Pr
OSTI Identifier:
1308123
DOI:
https://doi.org/10.17188/1308123

Citation Formats

The Materials Project. Materials Data on NaPrO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308123.
The Materials Project. Materials Data on NaPrO2 by Materials Project. United States. doi:https://doi.org/10.17188/1308123
The Materials Project. 2020. "Materials Data on NaPrO2 by Materials Project". United States. doi:https://doi.org/10.17188/1308123. https://www.osti.gov/servlets/purl/1308123. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1308123,
title = {Materials Data on NaPrO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaPrO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Na1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.43 Å. Pr3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing PrO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are four shorter (2.43 Å) and two longer (2.45 Å) Pr–O bond lengths. O2- is bonded to two equivalent Na1+ and three equivalent Pr3+ atoms to form a mixture of distorted edge and corner-sharing ONa2Pr3 square pyramids.},
doi = {10.17188/1308123},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}