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Title: Materials Data on Al4CdO7 by Materials Project

Abstract

CdAl4O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cd2+ is bonded to five O2- atoms to form CdO5 trigonal bipyramids that share corners with ten AlO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.29–2.38 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with five AlO4 tetrahedra and corners with three equivalent CdO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.76–1.82 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with six AlO4 tetrahedra and corners with two equivalent CdO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.75–1.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cd2+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cd2+ and two equivalent Al3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry tomore » one Cd2+ and two Al3+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three Al3+ atoms.« less

Publication Date:
Other Number(s):
mp-1190488
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; Al4CdO7; Al-Cd-O
OSTI Identifier:
1678087
DOI:
https://doi.org/10.17188/1678087

Citation Formats

The Materials Project. Materials Data on Al4CdO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678087.
The Materials Project. Materials Data on Al4CdO7 by Materials Project. United States. doi:https://doi.org/10.17188/1678087
The Materials Project. 2020. "Materials Data on Al4CdO7 by Materials Project". United States. doi:https://doi.org/10.17188/1678087. https://www.osti.gov/servlets/purl/1678087. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1678087,
title = {Materials Data on Al4CdO7 by Materials Project},
author = {The Materials Project},
abstractNote = {CdAl4O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cd2+ is bonded to five O2- atoms to form CdO5 trigonal bipyramids that share corners with ten AlO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.29–2.38 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with five AlO4 tetrahedra and corners with three equivalent CdO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.76–1.82 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with six AlO4 tetrahedra and corners with two equivalent CdO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.75–1.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cd2+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cd2+ and two equivalent Al3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cd2+ and two Al3+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three Al3+ atoms.},
doi = {10.17188/1678087},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}