Materials Data on H7C2SN4ClO4 by Materials Project
Abstract
C2N4H7SClO4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ac1mvgyg molecules and two ClO4 clusters. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.48 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1204845
- 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; H7C2SN4ClO4; C-Cl-H-N-O-S
- OSTI Identifier:
- 1663720
- DOI:
- https://doi.org/10.17188/1663720
Citation Formats
The Materials Project. Materials Data on H7C2SN4ClO4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1663720.
The Materials Project. Materials Data on H7C2SN4ClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1663720
The Materials Project. 2019.
"Materials Data on H7C2SN4ClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1663720. https://www.osti.gov/servlets/purl/1663720. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1663720,
title = {Materials Data on H7C2SN4ClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {C2N4H7SClO4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ac1mvgyg molecules and two ClO4 clusters. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.48 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.},
doi = {10.17188/1663720},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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