skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Mo6PbBr14 by Materials Project

Abstract

Mo6PbBr14 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. Mo2+ is bonded to five Br1- atoms to form MoBr5 square pyramids that share a cornercorner with one PbBr6 octahedra and edges with four equivalent MoBr5 square pyramids. The corner-sharing octahedral tilt angles are 52°. There are a spread of Mo–Br bond distances ranging from 2.61–2.66 Å. Pb2+ is bonded to six equivalent Br1- atoms to form PbBr6 octahedra that share corners with six equivalent MoBr5 square pyramids. All Pb–Br bond lengths are 3.10 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 6-coordinate geometry to three equivalent Mo2+ atoms. In the second Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent Mo2+ atoms. In the third Br1- site, Br1- is bonded in a distorted bent 120 degrees geometry to one Mo2+ and one Pb2+ atom.

Publication Date:
Other Number(s):
mp-649327
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; Mo6PbBr14; Br-Mo-Pb
OSTI Identifier:
1280884
DOI:
https://doi.org/10.17188/1280884

Citation Formats

The Materials Project. Materials Data on Mo6PbBr14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280884.
The Materials Project. Materials Data on Mo6PbBr14 by Materials Project. United States. doi:https://doi.org/10.17188/1280884
The Materials Project. 2020. "Materials Data on Mo6PbBr14 by Materials Project". United States. doi:https://doi.org/10.17188/1280884. https://www.osti.gov/servlets/purl/1280884. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1280884,
title = {Materials Data on Mo6PbBr14 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo6PbBr14 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. Mo2+ is bonded to five Br1- atoms to form MoBr5 square pyramids that share a cornercorner with one PbBr6 octahedra and edges with four equivalent MoBr5 square pyramids. The corner-sharing octahedral tilt angles are 52°. There are a spread of Mo–Br bond distances ranging from 2.61–2.66 Å. Pb2+ is bonded to six equivalent Br1- atoms to form PbBr6 octahedra that share corners with six equivalent MoBr5 square pyramids. All Pb–Br bond lengths are 3.10 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 6-coordinate geometry to three equivalent Mo2+ atoms. In the second Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent Mo2+ atoms. In the third Br1- site, Br1- is bonded in a distorted bent 120 degrees geometry to one Mo2+ and one Pb2+ atom.},
doi = {10.17188/1280884},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}