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Title: Materials Data on MnH8C2S2(NO2)2 by Materials Project

Abstract

MnC2H8S2(NO2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two MnC2H8S2(NO2)2 clusters. Mn2+ is bonded in an octahedral geometry to two equivalent N3- and four O2- atoms. Both Mn–N bond lengths are 2.15 Å. There are two shorter (2.20 Å) and two longer (2.30 Å) Mn–O bond lengths. C4+ is bonded in a linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.63 Å. N3- is bonded in a linear geometry to one Mn2+ and one C4+ atom. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S2- is bonded in a single-bondmore » geometry to one C4+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Mn2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Mn2+ and two H1+ atoms.« less

Publication Date:
Other Number(s):
mp-767297
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; MnH8C2S2(NO2)2; C-H-Mn-N-O-S
OSTI Identifier:
1297508
DOI:
10.17188/1297508

Citation Formats

The Materials Project. Materials Data on MnH8C2S2(NO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1297508.
The Materials Project. Materials Data on MnH8C2S2(NO2)2 by Materials Project. United States. doi:10.17188/1297508.
The Materials Project. 2020. "Materials Data on MnH8C2S2(NO2)2 by Materials Project". United States. doi:10.17188/1297508. https://www.osti.gov/servlets/purl/1297508. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1297508,
title = {Materials Data on MnH8C2S2(NO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MnC2H8S2(NO2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two MnC2H8S2(NO2)2 clusters. Mn2+ is bonded in an octahedral geometry to two equivalent N3- and four O2- atoms. Both Mn–N bond lengths are 2.15 Å. There are two shorter (2.20 Å) and two longer (2.30 Å) Mn–O bond lengths. C4+ is bonded in a linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.63 Å. N3- is bonded in a linear geometry to one Mn2+ and one C4+ atom. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S2- is bonded in a single-bond geometry to one C4+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Mn2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Mn2+ and two H1+ atoms.},
doi = {10.17188/1297508},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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