U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K6In3H12(N8O27)2 by Materials Project
Abstract
K6In3H12(N8O27)2 crystallizes in the cubic I-43d space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of K–O bond distances ranging from 2.97–3.32 Å. In is bonded in an octahedral geometry to six O atoms. There are two shorter (2.14 Å) and four longer (2.22 Å) In–O bond lengths. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three equivalent O atoms. All N–O bond lengths are 1.27 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.32 Å. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two equivalent K and one N atom. In the second O site, O is bonded in a 2-coordinate geometry to one K, one In, and one N atom. In the third O site, O is bonded in a distorted single-bond geometry to twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199428
- 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; K6In3H12(N8O27)2; H-In-K-N-O
- OSTI Identifier:
- 1708316
- DOI:
- https://doi.org/10.17188/1708316
Citation Formats
The Materials Project. Materials Data on K6In3H12(N8O27)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1708316.
The Materials Project. Materials Data on K6In3H12(N8O27)2 by Materials Project. United States. doi:https://doi.org/10.17188/1708316
The Materials Project. 2019.
"Materials Data on K6In3H12(N8O27)2 by Materials Project". United States. doi:https://doi.org/10.17188/1708316. https://www.osti.gov/servlets/purl/1708316. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1708316,
title = {Materials Data on K6In3H12(N8O27)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K6In3H12(N8O27)2 crystallizes in the cubic I-43d space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of K–O bond distances ranging from 2.97–3.32 Å. In is bonded in an octahedral geometry to six O atoms. There are two shorter (2.14 Å) and four longer (2.22 Å) In–O bond lengths. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three equivalent O atoms. All N–O bond lengths are 1.27 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.32 Å. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two equivalent K and one N atom. In the second O site, O is bonded in a 2-coordinate geometry to one K, one In, and one N atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one N atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one In and two equivalent H atoms. In the fifth O site, O is bonded in a distorted single-bond geometry to one K and one N atom.},
doi = {10.17188/1708316},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}