U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn5(N2O7)2 by Materials Project
Abstract
Zn5O8N2(NO3)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four ammonia molecules; four nitric acid molecules; and two Zn5O8 sheets oriented in the (1, 0, 0) direction. In each Zn5O8 sheet, there are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form edge-sharing ZnO6 octahedra. There are two shorter (2.01 Å) and four longer (2.05 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form edge-sharing ZnO6 octahedra. There are two shorter (2.02 Å) and four longer (2.04 Å) Zn–O bond lengths. In the third Zn2+ site, Zn2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.92 Å) and two longer (1.93 Å) Zn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Zn2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Zn2+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Zn2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1190627
- 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; Zn5(N2O7)2; N-O-Zn
- OSTI Identifier:
- 1674909
- DOI:
- https://doi.org/10.17188/1674909
Citation Formats
The Materials Project. Materials Data on Zn5(N2O7)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1674909.
The Materials Project. Materials Data on Zn5(N2O7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1674909
The Materials Project. 2019.
"Materials Data on Zn5(N2O7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1674909. https://www.osti.gov/servlets/purl/1674909. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1674909,
title = {Materials Data on Zn5(N2O7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn5O8N2(NO3)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four ammonia molecules; four nitric acid molecules; and two Zn5O8 sheets oriented in the (1, 0, 0) direction. In each Zn5O8 sheet, there are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form edge-sharing ZnO6 octahedra. There are two shorter (2.01 Å) and four longer (2.05 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form edge-sharing ZnO6 octahedra. There are two shorter (2.02 Å) and four longer (2.04 Å) Zn–O bond lengths. In the third Zn2+ site, Zn2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.92 Å) and two longer (1.93 Å) Zn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Zn2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Zn2+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Zn2+ atoms.},
doi = {10.17188/1674909},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}