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Title: Materials Data on Os(SeCl6)2 by Materials Project

Abstract

Os(SeCl6)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Os8+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Os–Cl bond distances ranging from 2.33–2.36 Å. Se2+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Se–Cl bond distances ranging from 2.20–3.00 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Se2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Os8+ and one Se2+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Os8+ and one Se2+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se2+ atom. In the sixth Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Os8+ and one Se2+ atom.

Publication Date:
Other Number(s):
mp-582444
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; Os(SeCl6)2; Cl-Os-Se
OSTI Identifier:
1276979
DOI:
10.17188/1276979

Citation Formats

The Materials Project. Materials Data on Os(SeCl6)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276979.
The Materials Project. Materials Data on Os(SeCl6)2 by Materials Project. United States. doi:10.17188/1276979.
The Materials Project. 2020. "Materials Data on Os(SeCl6)2 by Materials Project". United States. doi:10.17188/1276979. https://www.osti.gov/servlets/purl/1276979. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1276979,
title = {Materials Data on Os(SeCl6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Os(SeCl6)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Os8+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Os–Cl bond distances ranging from 2.33–2.36 Å. Se2+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Se–Cl bond distances ranging from 2.20–3.00 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Se2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Os8+ and one Se2+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Os8+ and one Se2+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se2+ atom. In the sixth Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Os8+ and one Se2+ atom.},
doi = {10.17188/1276979},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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