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Title: Materials Data on CdGeO3 by Materials Project

Abstract

CdGeO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with eight equivalent GeO4 tetrahedra and edges with three equivalent CdO6 octahedra. There are a spread of Cd–O bond distances ranging from 2.20–2.59 Å. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with five CdO6 octahedra. There are a spread of Cd–O bond distances ranging from 2.29–2.39 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with seven CdO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–70°. There are a spread of Ge–O bond distances ranging from 1.74–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cd2+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cd2+ and two equivalent Ge4+ atoms. In the thirdmore » O2- site, O2- is bonded in a 4-coordinate geometry to three Cd2+ and one Ge4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-2951
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CdGeO3; Cd-Ge-O
OSTI Identifier:
1203981
DOI:
https://doi.org/10.17188/1203981

Citation Formats

The Materials Project. Materials Data on CdGeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203981.
The Materials Project. Materials Data on CdGeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1203981
The Materials Project. 2020. "Materials Data on CdGeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1203981. https://www.osti.gov/servlets/purl/1203981. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1203981,
title = {Materials Data on CdGeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CdGeO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with eight equivalent GeO4 tetrahedra and edges with three equivalent CdO6 octahedra. There are a spread of Cd–O bond distances ranging from 2.20–2.59 Å. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with five CdO6 octahedra. There are a spread of Cd–O bond distances ranging from 2.29–2.39 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with seven CdO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–70°. There are a spread of Ge–O bond distances ranging from 1.74–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cd2+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cd2+ and two equivalent Ge4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Cd2+ and one Ge4+ atom.},
doi = {10.17188/1203981},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}