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Title: Materials Data on CuMoF6 by Materials Project

Abstract

MoCuF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one MoCuF6 ribbon oriented in the (1, 1, 1) direction. Mo5+ is bonded in a linear geometry to two equivalent F1- atoms. Both Mo–F bond lengths are 1.18 Å. Cu1+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Cu–F bond distances ranging from 1.90–2.56 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Cu1+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Mo5+ and one Cu1+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Cu1+ atom.

Publication Date:
Other Number(s):
mp-556093
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; CuMoF6; Cu-F-Mo
OSTI Identifier:
1269165
DOI:
10.17188/1269165

Citation Formats

The Materials Project. Materials Data on CuMoF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269165.
The Materials Project. Materials Data on CuMoF6 by Materials Project. United States. doi:10.17188/1269165.
The Materials Project. 2020. "Materials Data on CuMoF6 by Materials Project". United States. doi:10.17188/1269165. https://www.osti.gov/servlets/purl/1269165. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1269165,
title = {Materials Data on CuMoF6 by Materials Project},
author = {The Materials Project},
abstractNote = {MoCuF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one MoCuF6 ribbon oriented in the (1, 1, 1) direction. Mo5+ is bonded in a linear geometry to two equivalent F1- atoms. Both Mo–F bond lengths are 1.18 Å. Cu1+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Cu–F bond distances ranging from 1.90–2.56 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Cu1+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Mo5+ and one Cu1+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Cu1+ atom.},
doi = {10.17188/1269165},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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