U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KNaSi5SnO16 by Materials Project
Abstract
KNaSnSi5O16 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.90–3.21 Å. Na is bonded to six O atoms to form distorted NaO6 octahedra that share corners with four SiO4 tetrahedra, an edgeedge with one NaO6 octahedra, and edges with two equivalent SnO6 octahedra. There are a spread of Na–O bond distances ranging from 2.30–2.35 Å. Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six SiO4 tetrahedra and edges with two equivalent NaO6 octahedra. There are two shorter (2.07 Å) and four longer (2.08 Å) Sn–O bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one NaO6 octahedra, a cornercorner with one SnO6 octahedra, and corners with three SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–52°. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercornermore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1201904
- 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; KNaSi5SnO16; K-Na-O-Si-Sn
- OSTI Identifier:
- 1705273
- DOI:
- https://doi.org/10.17188/1705273
Citation Formats
The Materials Project. Materials Data on KNaSi5SnO16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1705273.
The Materials Project. Materials Data on KNaSi5SnO16 by Materials Project. United States. doi:https://doi.org/10.17188/1705273
The Materials Project. 2020.
"Materials Data on KNaSi5SnO16 by Materials Project". United States. doi:https://doi.org/10.17188/1705273. https://www.osti.gov/servlets/purl/1705273. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1705273,
title = {Materials Data on KNaSi5SnO16 by Materials Project},
author = {The Materials Project},
abstractNote = {KNaSnSi5O16 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.90–3.21 Å. Na is bonded to six O atoms to form distorted NaO6 octahedra that share corners with four SiO4 tetrahedra, an edgeedge with one NaO6 octahedra, and edges with two equivalent SnO6 octahedra. There are a spread of Na–O bond distances ranging from 2.30–2.35 Å. Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six SiO4 tetrahedra and edges with two equivalent NaO6 octahedra. There are two shorter (2.07 Å) and four longer (2.08 Å) Sn–O bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one NaO6 octahedra, a cornercorner with one SnO6 octahedra, and corners with three SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–52°. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one NaO6 octahedra, corners with two equivalent SnO6 octahedra, and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–63°. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. In the third Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one K and two Si atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Si atom. In the third O site, O is bonded in a linear geometry to two equivalent Si atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the sixth O site, O is bonded in a 3-coordinate geometry to one Na, one Sn, and one Si atom. In the seventh O site, O is bonded in a 3-coordinate geometry to one K, one Sn, and one Si atom. In the eighth O site, O is bonded in a distorted L-shaped geometry to one K and one O atom. The O–O bond length is 1.24 Å. In the ninth O site, O is bonded in a trigonal non-coplanar geometry to one K and two equivalent Na atoms.},
doi = {10.17188/1705273},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}