U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K5LiGe2O7 by Materials Project
Abstract
K5LiGe2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.02 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.21 Å. In the third K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 trigonal bipyramids that share a cornercorner with one LiO4 tetrahedra, corners with four GeO4 tetrahedra, an edgeedge with one LiO4 tetrahedra, and an edgeedge with one GeO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.69–2.86 Å. In the fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.04 Å. In the fifth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.13 Å. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share cornersmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-557473
- 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; K5LiGe2O7; Ge-K-Li-O
- OSTI Identifier:
- 1269858
- DOI:
- https://doi.org/10.17188/1269858
Citation Formats
The Materials Project. Materials Data on K5LiGe2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269858.
The Materials Project. Materials Data on K5LiGe2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1269858
The Materials Project. 2020.
"Materials Data on K5LiGe2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1269858. https://www.osti.gov/servlets/purl/1269858. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1269858,
title = {Materials Data on K5LiGe2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {K5LiGe2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.02 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.21 Å. In the third K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 trigonal bipyramids that share a cornercorner with one LiO4 tetrahedra, corners with four GeO4 tetrahedra, an edgeedge with one LiO4 tetrahedra, and an edgeedge with one GeO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.69–2.86 Å. In the fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.04 Å. In the fifth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.13 Å. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two GeO4 tetrahedra, a cornercorner with one KO5 trigonal bipyramid, an edgeedge with one GeO4 tetrahedra, and an edgeedge with one KO5 trigonal bipyramid. There are a spread of Li–O bond distances ranging from 1.95–2.10 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one LiO4 tetrahedra, a cornercorner with one GeO4 tetrahedra, and corners with two equivalent KO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.77–1.88 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one LiO4 tetrahedra, a cornercorner with one GeO4 tetrahedra, corners with two equivalent KO5 trigonal bipyramids, an edgeedge with one LiO4 tetrahedra, and an edgeedge with one KO5 trigonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.76–1.86 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four K1+, one Li1+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to four K1+, one Li1+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four K1+, one Li1+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to four K1+, one Li1+, and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three K1+ and two Ge4+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom.},
doi = {10.17188/1269858},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}