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Title: Materials Data on CeP2(NO4)2 by Materials Project

Abstract

Ce(PO4)2N2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional and consists of eight ammonia molecules and one Ce(PO4)2 framework. In the Ce(PO4)2 framework, Ce4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.23–2.57 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (1.57 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ andmore » one P5+ atom.« less

Publication Date:
Other Number(s):
mp-1192958
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; CeP2(NO4)2; Ce-N-O-P
OSTI Identifier:
1686531
DOI:
https://doi.org/10.17188/1686531

Citation Formats

The Materials Project. Materials Data on CeP2(NO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686531.
The Materials Project. Materials Data on CeP2(NO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1686531
The Materials Project. 2020. "Materials Data on CeP2(NO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1686531. https://www.osti.gov/servlets/purl/1686531. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1686531,
title = {Materials Data on CeP2(NO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce(PO4)2N2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional and consists of eight ammonia molecules and one Ce(PO4)2 framework. In the Ce(PO4)2 framework, Ce4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.23–2.57 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (1.57 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ and one P5+ atom.},
doi = {10.17188/1686531},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}