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Title: Materials Data on NdH4S2NO8 by Materials Project

Abstract

Nd(SO4)2NH4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ammonium molecules and one Nd(SO4)2 sheet oriented in the (1, 0, 0) direction. In the Nd(SO4)2 sheet, Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.44–2.67 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 1.46–1.52 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 1.46–1.52 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nd3+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nd3+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bondmore » geometry to two equivalent Nd3+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Nd3+ and one S2+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Nd3+ and one S2+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one S2+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-774927
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NdH4S2NO8; H-N-Nd-O-S
OSTI Identifier:
1302690
DOI:
https://doi.org/10.17188/1302690

Citation Formats

The Materials Project. Materials Data on NdH4S2NO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302690.
The Materials Project. Materials Data on NdH4S2NO8 by Materials Project. United States. doi:https://doi.org/10.17188/1302690
The Materials Project. 2020. "Materials Data on NdH4S2NO8 by Materials Project". United States. doi:https://doi.org/10.17188/1302690. https://www.osti.gov/servlets/purl/1302690. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1302690,
title = {Materials Data on NdH4S2NO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd(SO4)2NH4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ammonium molecules and one Nd(SO4)2 sheet oriented in the (1, 0, 0) direction. In the Nd(SO4)2 sheet, Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.44–2.67 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 1.46–1.52 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 1.46–1.52 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nd3+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nd3+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nd3+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Nd3+ and one S2+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Nd3+ and one S2+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one S2+ atom.},
doi = {10.17188/1302690},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}