U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2InH2Cl5O by Materials Project
Abstract
K2InH2OCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.35–3.81 Å. In3+ is bonded in an octahedral geometry to one O2- and five Cl1- atoms. The In–O bond length is 2.26 Å. There are a spread of In–Cl bond distances ranging from 2.51–2.54 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one In3+ and two equivalent H1+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one In3+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one In3+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one In3+ atom. In the fourth Cl1- site, Cl1- is bonded to four equivalent K1+ and one In3+ atom to form distorted corner-sharing ClK4In square pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-766966
- 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; K2InH2Cl5O; Cl-H-In-K-O
- OSTI Identifier:
- 1297213
- DOI:
- https://doi.org/10.17188/1297213
Citation Formats
The Materials Project. Materials Data on K2InH2Cl5O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1297213.
The Materials Project. Materials Data on K2InH2Cl5O by Materials Project. United States. doi:https://doi.org/10.17188/1297213
The Materials Project. 2020.
"Materials Data on K2InH2Cl5O by Materials Project". United States. doi:https://doi.org/10.17188/1297213. https://www.osti.gov/servlets/purl/1297213. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1297213,
title = {Materials Data on K2InH2Cl5O by Materials Project},
author = {The Materials Project},
abstractNote = {K2InH2OCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.35–3.81 Å. In3+ is bonded in an octahedral geometry to one O2- and five Cl1- atoms. The In–O bond length is 2.26 Å. There are a spread of In–Cl bond distances ranging from 2.51–2.54 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one In3+ and two equivalent H1+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one In3+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one In3+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one In3+ atom. In the fourth Cl1- site, Cl1- is bonded to four equivalent K1+ and one In3+ atom to form distorted corner-sharing ClK4In square pyramids.},
doi = {10.17188/1297213},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}