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Title: Materials Data on Ta2Cd2O7 by Materials Project

Abstract

Cd2Ta2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and edges with six equivalent CdO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. All Ta–O bond lengths are 1.99 Å. Cd2+ is bonded to eight O2- atoms to form distorted CdO8 hexagonal bipyramids that share edges with six equivalent CdO8 hexagonal bipyramids and edges with six equivalent TaO6 octahedra. There are two shorter (2.28 Å) and six longer (2.68 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ta5+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded to four equivalent Cd2+ atoms to form corner-sharing OCd4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-5548
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; Ta2Cd2O7; Cd-O-Ta
OSTI Identifier:
1268117
DOI:
10.17188/1268117

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ta2Cd2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268117.
Persson, Kristin, & Project, Materials. Materials Data on Ta2Cd2O7 by Materials Project. United States. doi:10.17188/1268117.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ta2Cd2O7 by Materials Project". United States. doi:10.17188/1268117. https://www.osti.gov/servlets/purl/1268117. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1268117,
title = {Materials Data on Ta2Cd2O7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cd2Ta2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and edges with six equivalent CdO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. All Ta–O bond lengths are 1.99 Å. Cd2+ is bonded to eight O2- atoms to form distorted CdO8 hexagonal bipyramids that share edges with six equivalent CdO8 hexagonal bipyramids and edges with six equivalent TaO6 octahedra. There are two shorter (2.28 Å) and six longer (2.68 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ta5+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded to four equivalent Cd2+ atoms to form corner-sharing OCd4 tetrahedra.},
doi = {10.17188/1268117},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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