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Title: Materials Data on Na4NiAg2S8N5O12 by Materials Project

Abstract

(Na2Ag(S2O3)2)2NiN(N2)2 crystallizes in the tetragonal I4 space group. The structure is three-dimensional and consists of eight ammonia molecules, two azanylidynenickel molecules, and one Na2Ag(S2O3)2 framework. In the Na2Ag(S2O3)2 framework, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.50 Å. Ag1+ is bonded to four equivalent S1- atoms to form edge-sharing AgS4 tetrahedra. All Ag–S bond lengths are 2.52 Å. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a 3-coordinate geometry to two equivalent Ag1+ and one S1- atom. The S–S bond length is 2.14 Å. In the second S1- site, S1- is bonded in a trigonal non-coplanar geometry to one S1- and three O2- atoms. There is one shorter (1.45 Å) and two longer (1.47 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Na1+ and one S1- atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one S1- atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to twomore » equivalent Na1+ and one S1- atom.« less

Publication Date:
Other Number(s):
mp-1221251
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; Na4NiAg2S8N5O12; Ag-N-Na-Ni-O-S
OSTI Identifier:
1705546
DOI:
https://doi.org/10.17188/1705546

Citation Formats

The Materials Project. Materials Data on Na4NiAg2S8N5O12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705546.
The Materials Project. Materials Data on Na4NiAg2S8N5O12 by Materials Project. United States. doi:https://doi.org/10.17188/1705546
The Materials Project. 2020. "Materials Data on Na4NiAg2S8N5O12 by Materials Project". United States. doi:https://doi.org/10.17188/1705546. https://www.osti.gov/servlets/purl/1705546. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1705546,
title = {Materials Data on Na4NiAg2S8N5O12 by Materials Project},
author = {The Materials Project},
abstractNote = {(Na2Ag(S2O3)2)2NiN(N2)2 crystallizes in the tetragonal I4 space group. The structure is three-dimensional and consists of eight ammonia molecules, two azanylidynenickel molecules, and one Na2Ag(S2O3)2 framework. In the Na2Ag(S2O3)2 framework, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.50 Å. Ag1+ is bonded to four equivalent S1- atoms to form edge-sharing AgS4 tetrahedra. All Ag–S bond lengths are 2.52 Å. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a 3-coordinate geometry to two equivalent Ag1+ and one S1- atom. The S–S bond length is 2.14 Å. In the second S1- site, S1- is bonded in a trigonal non-coplanar geometry to one S1- and three O2- atoms. There is one shorter (1.45 Å) and two longer (1.47 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Na1+ and one S1- atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one S1- atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one S1- atom.},
doi = {10.17188/1705546},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}