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Title: Materials Data on Cd4OF6 by Materials Project

Abstract

Cd4OF6 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Cd2+ is bonded to one O2- and six F1- atoms to form a mixture of distorted edge and corner-sharing CdOF6 pentagonal bipyramids. The Cd–O bond length is 2.21 Å. There are a spread of Cd–F bond distances ranging from 2.27–2.46 Å. O2- is bonded to four equivalent Cd2+ atoms to form OCd4 tetrahedra that share corners with sixteen FCd4 tetrahedra and edges with four equivalent FCd4 tetrahedra. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Cd2+ atoms to form FCd4 tetrahedra that share corners with four equivalent OCd4 tetrahedra, corners with eight equivalent FCd4 tetrahedra, and edges with six FCd4 tetrahedra. In the second F1- site, F1- is bonded to four equivalent Cd2+ atoms to form distorted FCd4 tetrahedra that share corners with two equivalent OCd4 tetrahedra, corners with twelve FCd4 tetrahedra, an edgeedge with one OCd4 tetrahedra, and edges with four FCd4 tetrahedra.

Publication Date:
Other Number(s):
mp-28855
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; Cd4OF6; Cd-F-O
OSTI Identifier:
1202935
DOI:
https://doi.org/10.17188/1202935

Citation Formats

The Materials Project. Materials Data on Cd4OF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202935.
The Materials Project. Materials Data on Cd4OF6 by Materials Project. United States. doi:https://doi.org/10.17188/1202935
The Materials Project. 2020. "Materials Data on Cd4OF6 by Materials Project". United States. doi:https://doi.org/10.17188/1202935. https://www.osti.gov/servlets/purl/1202935. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1202935,
title = {Materials Data on Cd4OF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd4OF6 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Cd2+ is bonded to one O2- and six F1- atoms to form a mixture of distorted edge and corner-sharing CdOF6 pentagonal bipyramids. The Cd–O bond length is 2.21 Å. There are a spread of Cd–F bond distances ranging from 2.27–2.46 Å. O2- is bonded to four equivalent Cd2+ atoms to form OCd4 tetrahedra that share corners with sixteen FCd4 tetrahedra and edges with four equivalent FCd4 tetrahedra. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Cd2+ atoms to form FCd4 tetrahedra that share corners with four equivalent OCd4 tetrahedra, corners with eight equivalent FCd4 tetrahedra, and edges with six FCd4 tetrahedra. In the second F1- site, F1- is bonded to four equivalent Cd2+ atoms to form distorted FCd4 tetrahedra that share corners with two equivalent OCd4 tetrahedra, corners with twelve FCd4 tetrahedra, an edgeedge with one OCd4 tetrahedra, and edges with four FCd4 tetrahedra.},
doi = {10.17188/1202935},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}