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 triclinic P1 space group. The structure is three-dimensional and consists of two hydrogen hydrate molecules and one In2(HO)5 framework. In the In2(HO)5 framework, there are four inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in a 7-coordinate geometry to three H1+ and six O2- atoms. There are a spread of In–H bond distances ranging from 2.06–2.21 Å. There are a spread of In–O bond distances ranging from 2.21–2.84 Å. In the second In3+ site, In3+ is bonded in a 9-coordinate geometry to five H1+ and four O2- atoms. There are a spread of In–H bond distances ranging from 2.05–2.34 Å. There are a spread of In–O bond distances ranging from 2.11–2.73 Å. In the third In3+ site, In3+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.65 Å) and one longer (2.06 Å) In–O bond length. In the fourth In3+ site, In3+ is bonded in a 1-coordinate geometry to one H1+ and two O2- atoms. The In–H bond length is 1.64 Å. There is one shorter (1.11 Å) and one longer (1.64 Å) In–O bond length. There are ten inequivalent H1+ sites. In the first H1+ site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-757982
- 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:
- 1290952
- DOI:
- https://doi.org/10.17188/1290952
Citation Formats
The Materials Project. Materials Data on In(HO)3 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1290952.
The Materials Project. Materials Data on In(HO)3 by Materials Project. United States. doi:https://doi.org/10.17188/1290952
The Materials Project. 2014.
"Materials Data on In(HO)3 by Materials Project". United States. doi:https://doi.org/10.17188/1290952. https://www.osti.gov/servlets/purl/1290952. Pub date:Fri May 30 00:00:00 EDT 2014
@article{osti_1290952,
title = {Materials Data on In(HO)3 by Materials Project},
author = {The Materials Project},
abstractNote = {In(OH)3 crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of two hydrogen hydrate molecules and one In2(HO)5 framework. In the In2(HO)5 framework, there are four inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in a 7-coordinate geometry to three H1+ and six O2- atoms. There are a spread of In–H bond distances ranging from 2.06–2.21 Å. There are a spread of In–O bond distances ranging from 2.21–2.84 Å. In the second In3+ site, In3+ is bonded in a 9-coordinate geometry to five H1+ and four O2- atoms. There are a spread of In–H bond distances ranging from 2.05–2.34 Å. There are a spread of In–O bond distances ranging from 2.11–2.73 Å. In the third In3+ site, In3+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.65 Å) and one longer (2.06 Å) In–O bond length. In the fourth In3+ site, In3+ is bonded in a 1-coordinate geometry to one H1+ and two O2- atoms. The In–H bond length is 1.64 Å. There is one shorter (1.11 Å) and one longer (1.64 Å) In–O bond length. There are ten 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 1.50 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to two In3+ and one O2- atom. The H–O bond length is 1.01 Å. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to one In3+ and one O2- atom. The H–O bond length is 1.41 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one In3+ and one O2- atom. The H–O bond length is 0.57 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one In3+ and two O2- atoms. There is one shorter (0.92 Å) and one longer (1.66 Å) H–O bond length. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.37 Å. In the seventh H1+ site, H1+ is bonded in a 1-coordinate geometry to one In3+ and one O2- atom. The H–O bond length is 1.58 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to two In3+ and one O2- atom. The H–O bond length is 0.94 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.52 Å. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one In3+ and one O2- atom. The H–O bond length is 1.45 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one In3+ and two H1+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to two In3+ and one H1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one In3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two In3+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one H1+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one In3+ and one H1+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two In3+ and one H1+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two In3+ and one H1+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to two In3+ and one H1+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one In3+ and two H1+ atoms.},
doi = {10.17188/1290952},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 30 00:00:00 EDT 2014},
month = {Fri May 30 00:00:00 EDT 2014}
}
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