U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ag2H12C6N3Cl by Materials Project
Abstract
Ag2C2N2ClN(CH3)4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one Ag2C2N2Cl framework. In the Ag2C2N2Cl framework, there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to one C+0.67-, one N3-, and one Cl1- atom. The Ag–C bond length is 2.30 Å. The Ag–N bond length is 2.19 Å. The Ag–Cl bond length is 2.58 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two C+0.67-, one N3-, and one Cl1- atom. There are one shorter (2.14 Å) and one longer (2.21 Å) Ag–C bond lengths. The Ag–N bond length is 2.31 Å. The Ag–Cl bond length is 2.97 Å. There are two inequivalent C+0.67- sites. In the first C+0.67- site, C+0.67- is bonded in a linear geometry to one Ag1+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+0.67- site, C+0.67- is bonded in a distorted single-bond geometry to two Ag1+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-567645
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ag-C-Cl-H-N; Ag2H12C6N3Cl; crystal structure
- OSTI Identifier:
- 1184640
- DOI:
- https://doi.org/10.17188/1184640
Citation Formats
Materials Data on Ag2H12C6N3Cl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1184640.
Materials Data on Ag2H12C6N3Cl by Materials Project. United States. doi:https://doi.org/10.17188/1184640
2020.
"Materials Data on Ag2H12C6N3Cl by Materials Project". United States. doi:https://doi.org/10.17188/1184640. https://www.osti.gov/servlets/purl/1184640. Pub date:Tue Apr 28 20:00:00 EDT 2020
@article{osti_1184640,
title = {Materials Data on Ag2H12C6N3Cl by Materials Project},
abstractNote = {Ag2C2N2ClN(CH3)4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one Ag2C2N2Cl framework. In the Ag2C2N2Cl framework, there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to one C+0.67-, one N3-, and one Cl1- atom. The Ag–C bond length is 2.30 Å. The Ag–N bond length is 2.19 Å. The Ag–Cl bond length is 2.58 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two C+0.67-, one N3-, and one Cl1- atom. There are one shorter (2.14 Å) and one longer (2.21 Å) Ag–C bond lengths. The Ag–N bond length is 2.31 Å. The Ag–Cl bond length is 2.97 Å. There are two inequivalent C+0.67- sites. In the first C+0.67- site, C+0.67- is bonded in a linear geometry to one Ag1+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+0.67- site, C+0.67- is bonded in a distorted single-bond geometry to two Ag1+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted linear geometry to one Ag1+ and one C+0.67- atom. In the second N3- site, N3- is bonded in a linear geometry to one Ag1+ and one C+0.67- atom. Cl1- is bonded in a bent 150 degrees geometry to two Ag1+ atoms.},
doi = {10.17188/1184640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}