U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cd2Ge7O16 by Materials Project
Abstract
Cd2Ge7O16 crystallizes in the tetragonal P-4b2 space group. The structure is three-dimensional. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.28–2.55 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–62°. There is two shorter (1.78 Å) and two longer (1.80 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form corner-sharing GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.88–1.96 Å. In the third Ge4+ site, Ge4+ is bonded to four equivalent O2- atoms to form corner-sharing GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. All Ge–O bond lengths are 1.79 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and two Ge4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Cd2+ and twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-29213
- 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; Cd2Ge7O16; Cd-Ge-O
- OSTI Identifier:
- 1203587
- DOI:
- https://doi.org/10.17188/1203587
Citation Formats
The Materials Project. Materials Data on Cd2Ge7O16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203587.
The Materials Project. Materials Data on Cd2Ge7O16 by Materials Project. United States. doi:https://doi.org/10.17188/1203587
The Materials Project. 2020.
"Materials Data on Cd2Ge7O16 by Materials Project". United States. doi:https://doi.org/10.17188/1203587. https://www.osti.gov/servlets/purl/1203587. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1203587,
title = {Materials Data on Cd2Ge7O16 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd2Ge7O16 crystallizes in the tetragonal P-4b2 space group. The structure is three-dimensional. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.28–2.55 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–62°. There is two shorter (1.78 Å) and two longer (1.80 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form corner-sharing GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.88–1.96 Å. In the third Ge4+ site, Ge4+ is bonded to four equivalent O2- atoms to form corner-sharing GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. All Ge–O bond lengths are 1.79 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and two Ge4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Cd2+ and two Ge4+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Cd2+ and two Ge4+ atoms.},
doi = {10.17188/1203587},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}