U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca2S2O9 by Materials Project
Abstract
Ca2S2O9 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.42–2.67 Å. In the second Ca site, Ca is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ca–O bond distances ranging from 2.43–2.63 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two Ca and one S atom. In the second O site, O is bonded in a single-bond geometry to one Ca atom. In the third O site, O is bonded in a 1-coordinate geometry to two Ca and one S atom. In the fourth O site, O is bonded in a 1-coordinate geometry to two Ca and one S atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two Ca and one S atom.
- Publication Date:
- Other Number(s):
- mp-1214199
- 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; Ca-O-S; Ca2S2O9; crystal structure
- OSTI Identifier:
- 1731202
- DOI:
- https://doi.org/10.17188/1731202
Citation Formats
Materials Data on Ca2S2O9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1731202.
Materials Data on Ca2S2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1731202
2020.
"Materials Data on Ca2S2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1731202. https://www.osti.gov/servlets/purl/1731202. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1731202,
title = {Materials Data on Ca2S2O9 by Materials Project},
abstractNote = {Ca2S2O9 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.42–2.67 Å. In the second Ca site, Ca is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ca–O bond distances ranging from 2.43–2.63 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two Ca and one S atom. In the second O site, O is bonded in a single-bond geometry to one Ca atom. In the third O site, O is bonded in a 1-coordinate geometry to two Ca and one S atom. In the fourth O site, O is bonded in a 1-coordinate geometry to two Ca and one S atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two Ca and one S atom.},
doi = {10.17188/1731202},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}