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Title: Materials Data on ReS2NO9 by Materials Project

Abstract

(ReS2O9)2N2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonia molecules and one ReS2O9 cluster. In the ReS2O9 cluster, Re3+ is bonded to five O2- atoms to form distorted ReO5 trigonal bipyramids that share corners with four SO4 tetrahedra. There are a spread of Re–O bond distances ranging from 1.68–1.95 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent ReO5 trigonal bipyramids. There are a spread of S–O bond distances ranging from 1.42–1.62 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent ReO5 trigonal bipyramids. There are a spread of S–O bond distances ranging from 1.42–1.61 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Re3+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Re3+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degreesmore » geometry to one Re3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Re3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Re3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1192951
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; ReS2NO9; N-O-Re-S
OSTI Identifier:
1689156
DOI:
https://doi.org/10.17188/1689156

Citation Formats

The Materials Project. Materials Data on ReS2NO9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1689156.
The Materials Project. Materials Data on ReS2NO9 by Materials Project. United States. doi:https://doi.org/10.17188/1689156
The Materials Project. 2019. "Materials Data on ReS2NO9 by Materials Project". United States. doi:https://doi.org/10.17188/1689156. https://www.osti.gov/servlets/purl/1689156. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1689156,
title = {Materials Data on ReS2NO9 by Materials Project},
author = {The Materials Project},
abstractNote = {(ReS2O9)2N2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonia molecules and one ReS2O9 cluster. In the ReS2O9 cluster, Re3+ is bonded to five O2- atoms to form distorted ReO5 trigonal bipyramids that share corners with four SO4 tetrahedra. There are a spread of Re–O bond distances ranging from 1.68–1.95 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent ReO5 trigonal bipyramids. There are a spread of S–O bond distances ranging from 1.42–1.62 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent ReO5 trigonal bipyramids. There are a spread of S–O bond distances ranging from 1.42–1.61 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Re3+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Re3+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Re3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Re3+ atom.},
doi = {10.17188/1689156},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}