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Title: Materials Data on Nb2Cd2O7 by Materials Project

Abstract

Cd2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nb5+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.13 Å) and two longer (2.22 Å) Nb–O bond lengths. Cd2+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Cd–O bond lengths are 2.33 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nb5+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing ONb2Cd2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Nb5+ atoms to form a mixture of edge and corner-sharing ONb4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-647999
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; Nb2Cd2O7; Cd-Nb-O
OSTI Identifier:
1280790
DOI:
10.17188/1280790

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Nb2Cd2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280790.
Persson, Kristin, & Project, Materials. Materials Data on Nb2Cd2O7 by Materials Project. United States. doi:10.17188/1280790.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Nb2Cd2O7 by Materials Project". United States. doi:10.17188/1280790. https://www.osti.gov/servlets/purl/1280790. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1280790,
title = {Materials Data on Nb2Cd2O7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cd2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nb5+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.13 Å) and two longer (2.22 Å) Nb–O bond lengths. Cd2+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Cd–O bond lengths are 2.33 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nb5+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing ONb2Cd2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Nb5+ atoms to form a mixture of edge and corner-sharing ONb4 tetrahedra.},
doi = {10.17188/1280790},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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