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Title: Materials Data on CdGe2O5 by Materials Project

Abstract

CdGe2O5 is Esseneite-derived structured and crystallizes in the triclinic P-1 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 2.24–2.95 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 43–59°. There is two shorter (1.77 Å) and two longer (1.78 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with two equivalent GeO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There is two shorter (1.87 Å) and four longer (1.96 Å) Ge–O bond length. In the third Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with two equivalent GeO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Ge–O bond distances ranging from 1.87–1.96 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bondedmore » in a 4-coordinate geometry to two equivalent Cd2+ and two Ge4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cd2+ and two Ge4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cd2+ and two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cd2+ and two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cd2+ and two Ge4+ atoms.« less

Publication Date:
Other Number(s):
mp-7762
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; CdGe2O5; Cd-Ge-O
OSTI Identifier:
1304177
DOI:
https://doi.org/10.17188/1304177

Citation Formats

The Materials Project. Materials Data on CdGe2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304177.
The Materials Project. Materials Data on CdGe2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1304177
The Materials Project. 2020. "Materials Data on CdGe2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1304177. https://www.osti.gov/servlets/purl/1304177. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1304177,
title = {Materials Data on CdGe2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {CdGe2O5 is Esseneite-derived structured and crystallizes in the triclinic P-1 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 2.24–2.95 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 43–59°. There is two shorter (1.77 Å) and two longer (1.78 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with two equivalent GeO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There is two shorter (1.87 Å) and four longer (1.96 Å) Ge–O bond length. In the third Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with two equivalent GeO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Ge–O bond distances ranging from 1.87–1.96 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cd2+ and two Ge4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cd2+ and two Ge4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cd2+ and two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cd2+ and two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cd2+ and two Ge4+ atoms.},
doi = {10.17188/1304177},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}