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Title: Materials Data on Mo6PbCl14 by Materials Project

Abstract

Mo6PbCl14 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. Mo2+ is bonded to five Cl1- atoms to form MoCl5 square pyramids that share a cornercorner with one PbCl6 octahedra and edges with four equivalent MoCl5 square pyramids. The corner-sharing octahedral tilt angles are 53°. There are a spread of Mo–Cl bond distances ranging from 2.47–2.50 Å. Pb2+ is bonded to six equivalent Cl1- atoms to form PbCl6 octahedra that share corners with six equivalent MoCl5 square pyramids. All Pb–Cl bond lengths are 2.91 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Mo2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Mo2+ and one Pb2+ atom. In the third Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three equivalent Mo2+ atoms.

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:
1277063
Report Number(s):
mp-583553
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; Mo6PbCl14; Cl-Mo-Pb

Citation Formats

The Materials Project. Materials Data on Mo6PbCl14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277063.
The Materials Project. Materials Data on Mo6PbCl14 by Materials Project. United States. https://doi.org/10.17188/1277063
The Materials Project. 2020. "Materials Data on Mo6PbCl14 by Materials Project". United States. https://doi.org/10.17188/1277063. https://www.osti.gov/servlets/purl/1277063.
@article{osti_1277063,
title = {Materials Data on Mo6PbCl14 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo6PbCl14 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. Mo2+ is bonded to five Cl1- atoms to form MoCl5 square pyramids that share a cornercorner with one PbCl6 octahedra and edges with four equivalent MoCl5 square pyramids. The corner-sharing octahedral tilt angles are 53°. There are a spread of Mo–Cl bond distances ranging from 2.47–2.50 Å. Pb2+ is bonded to six equivalent Cl1- atoms to form PbCl6 octahedra that share corners with six equivalent MoCl5 square pyramids. All Pb–Cl bond lengths are 2.91 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Mo2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Mo2+ and one Pb2+ atom. In the third Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three equivalent Mo2+ atoms.},
doi = {10.17188/1277063},
url = {https://www.osti.gov/biblio/1277063}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu May 28 00:00:00 EDT 2020},
month = {Thu May 28 00:00:00 EDT 2020}
}