U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Ge4O9 by Materials Project
Abstract
Li2Ge4O9 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to five O2- atoms to form LiO5 square pyramids that share corners with six GeO4 tetrahedra and edges with two equivalent GeO6 octahedra. There are a spread of Li–O bond distances ranging from 1.92–2.12 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.99–2.54 Å. There are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with six GeO4 tetrahedra and edges with two equivalent LiO5 square pyramids. There are a spread of Ge–O bond distances ranging from 1.89–1.93 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra, corners with three equivalent LiO5 square pyramids, and corners with two GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Ge–O bond distances ranging from 1.75–1.82 Å. In the third Ge4+ site,more »
- Publication Date:
- Other Number(s):
- mp-1020012
- 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-Li-O; Li2Ge4O9; crystal structure
- OSTI Identifier:
- 1350845
- DOI:
- https://doi.org/10.17188/1350845
Citation Formats
Materials Data on Li2Ge4O9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350845.
Materials Data on Li2Ge4O9 by Materials Project. United States. doi:https://doi.org/10.17188/1350845
2020.
"Materials Data on Li2Ge4O9 by Materials Project". United States. doi:https://doi.org/10.17188/1350845. https://www.osti.gov/servlets/purl/1350845. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1350845,
title = {Materials Data on Li2Ge4O9 by Materials Project},
abstractNote = {Li2Ge4O9 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to five O2- atoms to form LiO5 square pyramids that share corners with six GeO4 tetrahedra and edges with two equivalent GeO6 octahedra. There are a spread of Li–O bond distances ranging from 1.92–2.12 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.99–2.54 Å. There are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with six GeO4 tetrahedra and edges with two equivalent LiO5 square pyramids. There are a spread of Ge–O bond distances ranging from 1.89–1.93 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra, corners with three equivalent LiO5 square pyramids, and corners with two GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Ge–O bond distances ranging from 1.75–1.82 Å. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra, corners with two equivalent LiO5 square pyramids, and corners with two GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–62°. There are a spread of Ge–O bond distances ranging from 1.75–1.82 Å. In the fourth Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra, a cornercorner with one LiO5 square pyramid, and corners with two GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–59°. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two Ge4+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+ and two Ge4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+ and two Ge4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two Ge4+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two Ge4+ atoms. In the eighth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Li1+ and two Ge4+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two Ge4+ atoms.},
doi = {10.17188/1350845},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}