skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Cd(GaO2)2 by Materials Project

Abstract

CdGa2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.37–2.60 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 49–57°. There are a spread of Ga–O bond distances ranging from 1.99–2.06 Å. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 49–57°. There are a spread of Ga–O bond distances ranging from 1.98–2.06 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Cd2+ and three Ga3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Cd2+ and three equivalent Ga3+ atoms. In the third O2- site, O2- is bonded to two equivalent Cd2+ and three equivalent Ga3+ atoms to form distorted edge-sharing OCd2Ga3 square pyramids. In the fourth O2-more » site, O2- is bonded in a 5-coordinate geometry to two equivalent Cd2+ and three Ga3+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-756190
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; Cd(GaO2)2; Cd-Ga-O
OSTI Identifier:
1290438
DOI:
10.17188/1290438

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cd(GaO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290438.
Persson, Kristin, & Project, Materials. Materials Data on Cd(GaO2)2 by Materials Project. United States. doi:10.17188/1290438.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cd(GaO2)2 by Materials Project". United States. doi:10.17188/1290438. https://www.osti.gov/servlets/purl/1290438. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290438,
title = {Materials Data on Cd(GaO2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CdGa2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.37–2.60 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 49–57°. There are a spread of Ga–O bond distances ranging from 1.99–2.06 Å. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 49–57°. There are a spread of Ga–O bond distances ranging from 1.98–2.06 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Cd2+ and three Ga3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Cd2+ and three equivalent Ga3+ atoms. In the third O2- site, O2- is bonded to two equivalent Cd2+ and three equivalent Ga3+ atoms to form distorted edge-sharing OCd2Ga3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Cd2+ and three Ga3+ atoms.},
doi = {10.17188/1290438},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: