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

Abstract

Mo(SeCl6)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Mo4+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Mo–Cl bond distances ranging from 2.36–2.43 Å. Se4+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Se–Cl bond distances ranging from 2.19–3.04 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Mo4+ and one Se4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Mo4+ and one Se4+ atom. In the third Cl1- site, Cl1- is bonded in a water-like geometry to one Mo4+ and one Se4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1274663
Report Number(s):
mp-568726
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Mo(SeCl6)2; Cl-Mo-Se

Citation Formats

The Materials Project. Materials Data on Mo(SeCl6)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274663.
The Materials Project. Materials Data on Mo(SeCl6)2 by Materials Project. United States. https://doi.org/10.17188/1274663
The Materials Project. 2020. "Materials Data on Mo(SeCl6)2 by Materials Project". United States. https://doi.org/10.17188/1274663. https://www.osti.gov/servlets/purl/1274663.
@article{osti_1274663,
title = {Materials Data on Mo(SeCl6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo(SeCl6)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Mo4+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Mo–Cl bond distances ranging from 2.36–2.43 Å. Se4+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Se–Cl bond distances ranging from 2.19–3.04 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Mo4+ and one Se4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Mo4+ and one Se4+ atom. In the third Cl1- site, Cl1- is bonded in a water-like geometry to one Mo4+ and one Se4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom.},
doi = {10.17188/1274663},
url = {https://www.osti.gov/biblio/1274663}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}