U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ge2N2O by Materials Project
Abstract
Ge2N2O is beta indium sulfide-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four equivalent N3- and two equivalent O2- atoms to form GeN4O2 octahedra that share corners with four equivalent GeN4 tetrahedra and edges with six GeN4O2 octahedra. All Ge–N bond lengths are 2.01 Å. Both Ge–O bond lengths are 1.92 Å. In the second Ge4+ site, Ge4+ is bonded to four N3- and two equivalent O2- atoms to form GeN4O2 octahedra that share corners with four equivalent GeN4 tetrahedra and edges with six GeN4O2 octahedra. There are three shorter (2.01 Å) and one longer (2.02 Å) Ge–N bond lengths. Both Ge–O bond lengths are 1.95 Å. In the third Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–59°. There is two shorter (1.89 Å) and two longer (1.91 Å) Ge–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four Ge4+ atoms to form a mixture of distorted corner and edge-sharing NGe4 trigonal pyramids. In the secondmore »
- Publication Date:
- Other Number(s):
- mp-773667
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ge-N-O; Ge2N2O; crystal structure
- OSTI Identifier:
- 1302072
- DOI:
- https://doi.org/10.17188/1302072
Citation Formats
Materials Data on Ge2N2O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1302072.
Materials Data on Ge2N2O by Materials Project. United States. doi:https://doi.org/10.17188/1302072
2020.
"Materials Data on Ge2N2O by Materials Project". United States. doi:https://doi.org/10.17188/1302072. https://www.osti.gov/servlets/purl/1302072. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1302072,
title = {Materials Data on Ge2N2O by Materials Project},
abstractNote = {Ge2N2O is beta indium sulfide-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four equivalent N3- and two equivalent O2- atoms to form GeN4O2 octahedra that share corners with four equivalent GeN4 tetrahedra and edges with six GeN4O2 octahedra. All Ge–N bond lengths are 2.01 Å. Both Ge–O bond lengths are 1.92 Å. In the second Ge4+ site, Ge4+ is bonded to four N3- and two equivalent O2- atoms to form GeN4O2 octahedra that share corners with four equivalent GeN4 tetrahedra and edges with six GeN4O2 octahedra. There are three shorter (2.01 Å) and one longer (2.02 Å) Ge–N bond lengths. Both Ge–O bond lengths are 1.95 Å. In the third Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–59°. There is two shorter (1.89 Å) and two longer (1.91 Å) Ge–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four Ge4+ atoms to form a mixture of distorted corner and edge-sharing NGe4 trigonal pyramids. In the second N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to four Ge4+ atoms. O2- is bonded in a 3-coordinate geometry to three Ge4+ atoms.},
doi = {10.17188/1302072},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}