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Title: Materials Data on PrSe2NO13 by Materials Project

Abstract

(PrSe2O13)2N2 crystallizes in the orthorhombic Pccn space group. The structure is two-dimensional and consists of four ammonia molecules and two PrSe2O13 sheets oriented in the (0, 0, 1) direction. In each PrSe2O13 sheet, Pr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.87 Å. Se is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.68 Å) and two longer (1.69 Å) Se–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Se atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Pr and one Se atom. In the third O site, O is bonded in a single-bond geometry to one Se atom. In the fourth O site, O is bonded in a single-bond geometry to one Pr atom. In the fifth O site, O is bonded in a single-bond geometry to one Pr atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Pr and one Se atom. In the seventh O site, O ismore » bonded in a bent 120 degrees geometry to one Pr and one O atom. The O–O bond length is 1.23 Å.« less

Publication Date:
Other Number(s):
mp-1196750
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; PrSe2NO13; N-O-Pr-Se
OSTI Identifier:
1676943
DOI:
https://doi.org/10.17188/1676943

Citation Formats

The Materials Project. Materials Data on PrSe2NO13 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1676943.
The Materials Project. Materials Data on PrSe2NO13 by Materials Project. United States. doi:https://doi.org/10.17188/1676943
The Materials Project. 2019. "Materials Data on PrSe2NO13 by Materials Project". United States. doi:https://doi.org/10.17188/1676943. https://www.osti.gov/servlets/purl/1676943. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1676943,
title = {Materials Data on PrSe2NO13 by Materials Project},
author = {The Materials Project},
abstractNote = {(PrSe2O13)2N2 crystallizes in the orthorhombic Pccn space group. The structure is two-dimensional and consists of four ammonia molecules and two PrSe2O13 sheets oriented in the (0, 0, 1) direction. In each PrSe2O13 sheet, Pr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.87 Å. Se is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.68 Å) and two longer (1.69 Å) Se–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Se atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Pr and one Se atom. In the third O site, O is bonded in a single-bond geometry to one Se atom. In the fourth O site, O is bonded in a single-bond geometry to one Pr atom. In the fifth O site, O is bonded in a single-bond geometry to one Pr atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Pr and one Se atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Pr and one O atom. The O–O bond length is 1.23 Å.},
doi = {10.17188/1676943},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}