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 two shorter (2.19 Å) and four longer (2.21 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 48°. 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 In3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent In3+ and one H1+ atom.
- Publication Date:
- Other Number(s):
- mp-626411
- 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-In-O; In(HO)3; crystal structure
- OSTI Identifier:
- 1278659
- DOI:
- https://doi.org/10.17188/1278659
Citation Formats
Materials Data on In(HO)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278659.
Materials Data on In(HO)3 by Materials Project. United States. doi:https://doi.org/10.17188/1278659
2020.
"Materials Data on In(HO)3 by Materials Project". United States. doi:https://doi.org/10.17188/1278659. https://www.osti.gov/servlets/purl/1278659. Pub date:Sat May 09 04:00:00 UTC 2020
@article{osti_1278659,
title = {Materials Data on In(HO)3 by 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 two shorter (2.19 Å) and four longer (2.21 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 48°. 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 In3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent In3+ and one H1+ atom.},
doi = {10.17188/1278659},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 09 04:00:00 UTC 2020},
month = {Sat May 09 04:00:00 UTC 2020}
}