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Title: Materials Data on K2Si4O9 by Materials Project

Abstract

K2Si4O9 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.04 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent SiO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. In the second Si4+ site, Si4+ is bonded to six equivalent O2- atoms to form corner-sharing SiO6 octahedra. All Si–O bond lengths are 1.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+ and two Si4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Si4+ atoms.

Publication Date:
Other Number(s):
mp-8380
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K2Si4O9; K-O-Si
OSTI Identifier:
1308065
DOI:
https://doi.org/10.17188/1308065

Citation Formats

The Materials Project. Materials Data on K2Si4O9 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1308065.
The Materials Project. Materials Data on K2Si4O9 by Materials Project. United States. doi:https://doi.org/10.17188/1308065
The Materials Project. 2017. "Materials Data on K2Si4O9 by Materials Project". United States. doi:https://doi.org/10.17188/1308065. https://www.osti.gov/servlets/purl/1308065. Pub date:Mon Jul 24 00:00:00 EDT 2017
@article{osti_1308065,
title = {Materials Data on K2Si4O9 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Si4O9 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.04 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent SiO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. In the second Si4+ site, Si4+ is bonded to six equivalent O2- atoms to form corner-sharing SiO6 octahedra. All Si–O bond lengths are 1.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+ and two Si4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Si4+ atoms.},
doi = {10.17188/1308065},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}