U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuH36S8I2(N3O4)3 by Materials Project
Abstract
Cu(S2O3)4(NH4)9(I)2 crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of thirty-six ammonium molecules, eight hydriodic acid molecules, and four Cu(S2O3)4 clusters. In each Cu(S2O3)4 cluster, Cu1+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Cu–S bond lengths are 2.34 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Cu1+ and one S2- atom. The S–S bond length is 2.05 Å. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to one S2- and three O2- atoms. All S–O bond lengths are 1.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1197502
- 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; CuH36S8I2(N3O4)3; Cu-H-I-N-O-S
- OSTI Identifier:
- 1707574
- DOI:
- https://doi.org/10.17188/1707574
Citation Formats
The Materials Project. Materials Data on CuH36S8I2(N3O4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1707574.
The Materials Project. Materials Data on CuH36S8I2(N3O4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1707574
The Materials Project. 2020.
"Materials Data on CuH36S8I2(N3O4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1707574. https://www.osti.gov/servlets/purl/1707574. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1707574,
title = {Materials Data on CuH36S8I2(N3O4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu(S2O3)4(NH4)9(I)2 crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of thirty-six ammonium molecules, eight hydriodic acid molecules, and four Cu(S2O3)4 clusters. In each Cu(S2O3)4 cluster, Cu1+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Cu–S bond lengths are 2.34 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Cu1+ and one S2- atom. The S–S bond length is 2.05 Å. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to one S2- and three O2- atoms. All S–O bond lengths are 1.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1707574},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}