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

Title: Materials Data on Na2PrGeO5 by Materials Project

Abstract

Na2PrGeO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–3.14 Å. Pr4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.62 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.76–1.78 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Na1+, one Pr4+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, two equivalent Pr4+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Na1+, one Pr4+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted see-saw-like geometry to four equivalent Na1+ and two equivalent Pr4+ atoms.

Publication Date:
Other Number(s):
mp-1198990
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; Na2PrGeO5; Ge-Na-O-Pr
OSTI Identifier:
1723194
DOI:
https://doi.org/10.17188/1723194

Citation Formats

The Materials Project. Materials Data on Na2PrGeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1723194.
The Materials Project. Materials Data on Na2PrGeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1723194
The Materials Project. 2020. "Materials Data on Na2PrGeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1723194. https://www.osti.gov/servlets/purl/1723194. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1723194,
title = {Materials Data on Na2PrGeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2PrGeO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–3.14 Å. Pr4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.62 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.76–1.78 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Na1+, one Pr4+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, two equivalent Pr4+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Na1+, one Pr4+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted see-saw-like geometry to four equivalent Na1+ and two equivalent Pr4+ atoms.},
doi = {10.17188/1723194},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}