U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on In(HO)3 by Materials Project
Abstract
In(OH)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 47–48°. There are four shorter (2.20 Å) and two longer (2.22 Å) In–O bond lengths. In the second In3+ site, In3+ is bonded to six equivalent O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles are 47°. All In–O bond lengths are 2.21 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent In3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two In3+ and one H1+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-626412
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; In(HO)3; H-In-O
- OSTI Identifier:
- 1278660
- DOI:
- https://doi.org/10.17188/1278660
Citation Formats
The Materials Project. Materials Data on In(HO)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278660.
The Materials Project. Materials Data on In(HO)3 by Materials Project. United States. doi:https://doi.org/10.17188/1278660
The Materials Project. 2020.
"Materials Data on In(HO)3 by Materials Project". United States. doi:https://doi.org/10.17188/1278660. https://www.osti.gov/servlets/purl/1278660. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1278660,
title = {Materials Data on In(HO)3 by Materials Project},
author = {The Materials Project},
abstractNote = {In(OH)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 47–48°. There are four shorter (2.20 Å) and two longer (2.22 Å) In–O bond lengths. In the second In3+ site, In3+ is bonded to six equivalent O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles are 47°. All In–O bond lengths are 2.21 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent In3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two In3+ and one H1+ atom.},
doi = {10.17188/1278660},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}