U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuN6(ClO4)3 by Materials Project
Abstract
(CuN4)2N2(N(O4Cl)2)2(ClO4)2 crystallizes in the tetragonal P-42_1m space group. The structure is two-dimensional and consists of two ammonia molecules; two nsc1302 molecules; two ClO4 clusters; and one N(O4Cl)2 sheet oriented in the (0, 0, 1) direction. In each ClO4 cluster, there are two 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 1.49 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.44 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms. In the N(O4Cl)2 sheet, N+4.33+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All N–O bond lengths are 2.23 Å. There are three 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 1.43 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 distorted single-bond geometry to one N+4.33+ and one Cl1- atom. The O–Clmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199648
- 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; CuN6(ClO4)3; Cl-Cu-N-O
- OSTI Identifier:
- 1680496
- DOI:
- https://doi.org/10.17188/1680496
Citation Formats
The Materials Project. Materials Data on CuN6(ClO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1680496.
The Materials Project. Materials Data on CuN6(ClO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1680496
The Materials Project. 2020.
"Materials Data on CuN6(ClO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1680496. https://www.osti.gov/servlets/purl/1680496. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1680496,
title = {Materials Data on CuN6(ClO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(CuN4)2N2(N(O4Cl)2)2(ClO4)2 crystallizes in the tetragonal P-42_1m space group. The structure is two-dimensional and consists of two ammonia molecules; two nsc1302 molecules; two ClO4 clusters; and one N(O4Cl)2 sheet oriented in the (0, 0, 1) direction. In each ClO4 cluster, there are two 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 1.49 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.44 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms. In the N(O4Cl)2 sheet, N+4.33+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All N–O bond lengths are 2.23 Å. There are three 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 1.43 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 distorted single-bond geometry to one N+4.33+ and one Cl1- atom. The O–Cl bond length is 1.50 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.},
doi = {10.17188/1680496},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}