U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScHO2 by Materials Project
Abstract
ScOOH crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded in a 6-coordinate geometry to one H1+ and five O2- atoms. The Sc–H bond length is 2.26 Å. There are a spread of Sc–O bond distances ranging from 2.00–2.20 Å. In the second Sc3+ site, Sc3+ is bonded in a 6-coordinate geometry to one H1+ and five O2- atoms. The Sc–H bond length is 2.25 Å. There are a spread of Sc–O bond distances ranging from 1.94–2.22 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to two Sc3+ and two O2- atoms. There is one shorter (1.07 Å) and one longer (1.40 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.48 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Sc3+ and one H1+ atom. In the second O2- site, O2- is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-625199
- 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; ScHO2; H-O-Sc
- OSTI Identifier:
- 1278331
- DOI:
- https://doi.org/10.17188/1278331
Citation Formats
The Materials Project. Materials Data on ScHO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278331.
The Materials Project. Materials Data on ScHO2 by Materials Project. United States. doi:https://doi.org/10.17188/1278331
The Materials Project. 2020.
"Materials Data on ScHO2 by Materials Project". United States. doi:https://doi.org/10.17188/1278331. https://www.osti.gov/servlets/purl/1278331. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1278331,
title = {Materials Data on ScHO2 by Materials Project},
author = {The Materials Project},
abstractNote = {ScOOH crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded in a 6-coordinate geometry to one H1+ and five O2- atoms. The Sc–H bond length is 2.26 Å. There are a spread of Sc–O bond distances ranging from 2.00–2.20 Å. In the second Sc3+ site, Sc3+ is bonded in a 6-coordinate geometry to one H1+ and five O2- atoms. The Sc–H bond length is 2.25 Å. There are a spread of Sc–O bond distances ranging from 1.94–2.22 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to two Sc3+ and two O2- atoms. There is one shorter (1.07 Å) and one longer (1.40 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.48 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Sc3+ and one H1+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Sc3+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sc3+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Sc3+ and one H1+ atom.},
doi = {10.17188/1278331},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}