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Title: Materials Data on PrH20S4N5O16 by Materials Project

Abstract

Pr(SO4)4(NH4)5 is Iron carbide-derived structured and crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of twenty ammonium molecules and two Pr(SO4)4 ribbons oriented in the (0, 0, 1) direction. In each Pr(SO4)4 ribbon, Pr3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pr–O bond distances ranging from 2.50–2.73 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.49–1.51 Å. In the second S2- site, S2- is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Pr3+ and one S2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S2-more » atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one S2- atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one S2- atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one S2- atom.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1286505
Report Number(s):
mp-707900
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; PrH20S4N5O16; H-N-O-Pr-S

Citation Formats

The Materials Project. Materials Data on PrH20S4N5O16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286505.
The Materials Project. Materials Data on PrH20S4N5O16 by Materials Project. United States. https://doi.org/10.17188/1286505
The Materials Project. 2020. "Materials Data on PrH20S4N5O16 by Materials Project". United States. https://doi.org/10.17188/1286505. https://www.osti.gov/servlets/purl/1286505.
@article{osti_1286505,
title = {Materials Data on PrH20S4N5O16 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr(SO4)4(NH4)5 is Iron carbide-derived structured and crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of twenty ammonium molecules and two Pr(SO4)4 ribbons oriented in the (0, 0, 1) direction. In each Pr(SO4)4 ribbon, Pr3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pr–O bond distances ranging from 2.50–2.73 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.49–1.51 Å. In the second S2- site, S2- is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Pr3+ and one S2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one S2- atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one S2- atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one S2- atom.},
doi = {10.17188/1286505},
url = {https://www.osti.gov/biblio/1286505}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}