U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2SIO7 by Materials Project
Abstract
K2SO7I is Zircon-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.79–3.13 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.70–3.20 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent K and one I atom. The O–I bond length is 1.83 Å. In the second O site, O is bonded in a 1-coordinate geometry to three K and one I atom. The O–I bond length is 1.82 Å. In the third O site, O is bonded in a distorted single-bond geometry to two K and one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three K and onemore »
- Publication Date:
- Other Number(s):
- mp-1196685
- 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; I-K-O-S; K2SIO7; crystal structure
- OSTI Identifier:
- 1748458
- DOI:
- https://doi.org/10.17188/1748458
Citation Formats
Materials Data on K2SIO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1748458.
Materials Data on K2SIO7 by Materials Project. United States. doi:https://doi.org/10.17188/1748458
2020.
"Materials Data on K2SIO7 by Materials Project". United States. doi:https://doi.org/10.17188/1748458. https://www.osti.gov/servlets/purl/1748458. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1748458,
title = {Materials Data on K2SIO7 by Materials Project},
abstractNote = {K2SO7I is Zircon-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.79–3.13 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.70–3.20 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent K and one I atom. The O–I bond length is 1.83 Å. In the second O site, O is bonded in a 1-coordinate geometry to three K and one I atom. The O–I bond length is 1.82 Å. In the third O site, O is bonded in a distorted single-bond geometry to two K and one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three K and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two K and one S atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two K and one S atom. In the seventh O site, O is bonded in a 3-coordinate geometry to two K and one I atom. The O–I bond length is 1.83 Å. I is bonded in a distorted trigonal non-coplanar geometry to three O atoms.},
doi = {10.17188/1748458},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}