U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on H5IO6 by Materials Project
Abstract
H5IO6 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two H5IO6 ribbons oriented in the (1, 0, 1) direction. there are five inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the third H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.03 Å) and one longer (1.58 Å) H–O bond length. In the fourth H site, H is bonded in a distorted linear geometry to two O atoms. There is one shorter (1.02 Å) and one longer (1.62 Å) H–O bond length. In the fifth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. There are six inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two H and one I atom. The O–I bond length is 1.83 Å. In the second O site, Omore »
- Publication Date:
- Other Number(s):
- mp-27773
- 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; H5IO6; crystal structure
- OSTI Identifier:
- 1201955
- DOI:
- https://doi.org/10.17188/1201955
Citation Formats
Materials Data on H5IO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1201955.
Materials Data on H5IO6 by Materials Project. United States. doi:https://doi.org/10.17188/1201955
2020.
"Materials Data on H5IO6 by Materials Project". United States. doi:https://doi.org/10.17188/1201955. https://www.osti.gov/servlets/purl/1201955. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1201955,
title = {Materials Data on H5IO6 by Materials Project},
abstractNote = {H5IO6 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two H5IO6 ribbons oriented in the (1, 0, 1) direction. there are five inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the third H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.03 Å) and one longer (1.58 Å) H–O bond length. In the fourth H site, H is bonded in a distorted linear geometry to two O atoms. There is one shorter (1.02 Å) and one longer (1.62 Å) H–O bond length. In the fifth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. There are six inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two H and one I atom. The O–I bond length is 1.83 Å. In the second O site, O is bonded in a distorted water-like geometry to one H and one I atom. The O–I bond length is 1.90 Å. In the third O site, O is bonded in a distorted single-bond geometry to one H and one I atom. The O–I bond length is 1.95 Å. In the fourth O site, O is bonded in a distorted single-bond geometry to one H and one I atom. The O–I bond length is 1.94 Å. In the fifth O site, O is bonded in a distorted single-bond geometry to one H and one I atom. The O–I bond length is 1.93 Å. In the sixth O site, O is bonded in a distorted water-like geometry to one H and one I atom. The O–I bond length is 1.92 Å. I is bonded in an octahedral geometry to six O atoms.},
doi = {10.17188/1201955},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}