U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrH2I2O7 by Materials Project
Abstract
SrH2O7I2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.73 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Sr2+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one I5+ atom. The O–I bond length is 1.83 Å. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one I5+ atom. The O–I bond length is 1.86 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and one I5+ atom. The O–I bond length is 1.82 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.
- Publication Date:
- Other Number(s):
- mp-23957
- 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; H-I-O-Sr; SrH2I2O7; crystal structure
- OSTI Identifier:
- 1199830
- DOI:
- https://doi.org/10.17188/1199830
Citation Formats
Materials Data on SrH2I2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199830.
Materials Data on SrH2I2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1199830
2020.
"Materials Data on SrH2I2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1199830. https://www.osti.gov/servlets/purl/1199830. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1199830,
title = {Materials Data on SrH2I2O7 by Materials Project},
abstractNote = {SrH2O7I2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.73 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Sr2+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one I5+ atom. The O–I bond length is 1.83 Å. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one I5+ atom. The O–I bond length is 1.86 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and one I5+ atom. The O–I bond length is 1.82 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.},
doi = {10.17188/1199830},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}