U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2Sn(GeO3)3 by Materials Project
Abstract
K2Sn(GeO3)3 is Esseneite-like structured and crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.53–3.39 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Sn–O bond lengths are 2.09 Å. In the second Sn4+ site, Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Sn–O bond lengths are 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 corners with two equivalent SnO6 octahedra and corners with two GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–47°. There are a spread of Ge–O bond distances ranging from 1.75–1.80 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt anglesmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-624486
- 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; K2Sn(GeO3)3; Ge-K-O-Sn
- OSTI Identifier:
- 1278265
- DOI:
- https://doi.org/10.17188/1278265
Citation Formats
The Materials Project. Materials Data on K2Sn(GeO3)3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1278265.
The Materials Project. Materials Data on K2Sn(GeO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1278265
The Materials Project. 2017.
"Materials Data on K2Sn(GeO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1278265. https://www.osti.gov/servlets/purl/1278265. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1278265,
title = {Materials Data on K2Sn(GeO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Sn(GeO3)3 is Esseneite-like structured and crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.53–3.39 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Sn–O bond lengths are 2.09 Å. In the second Sn4+ site, Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Sn–O bond lengths are 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 corners with two equivalent SnO6 octahedra and corners with two GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–47°. There are a spread of Ge–O bond distances ranging from 1.75–1.80 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There is two shorter (1.76 Å) and two longer (1.82 Å) Ge–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent K1+ and two Ge4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Sn4+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Sn4+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Sn4+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to two equivalent K1+ and two equivalent Ge4+ atoms.},
doi = {10.17188/1278265},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}