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Title: Materials Data on MnC2S2(NO6)2 by Materials Project

Abstract

Mn(SO6)2(CN)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydrogen cyanide molecules and one Mn(SO6)2 cluster. In the Mn(SO6)2 cluster, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent SO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.78–1.98 Å. S2+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one MnO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of S–O bond distances ranging from 1.45–1.53 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to 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 single-bond geometry to one S2+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn2+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mn2+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry tomore » one Mn2+ atom.« less

Publication Date:
Other Number(s):
mp-1189676
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; MnC2S2(NO6)2; C-Mn-N-O-S
OSTI Identifier:
1759349
DOI:
https://doi.org/10.17188/1759349

Citation Formats

The Materials Project. Materials Data on MnC2S2(NO6)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759349.
The Materials Project. Materials Data on MnC2S2(NO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1759349
The Materials Project. 2020. "Materials Data on MnC2S2(NO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1759349. https://www.osti.gov/servlets/purl/1759349. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759349,
title = {Materials Data on MnC2S2(NO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn(SO6)2(CN)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydrogen cyanide molecules and one Mn(SO6)2 cluster. In the Mn(SO6)2 cluster, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent SO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.78–1.98 Å. S2+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one MnO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of S–O bond distances ranging from 1.45–1.53 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to 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 single-bond geometry to one S2+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn2+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mn2+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Mn2+ atom.},
doi = {10.17188/1759349},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}