U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CdH6C2I2(NO)2 by Materials Project
Abstract
CdC2H6I2(NO)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one CdC2H6I2(NO)2 ribbon oriented in the (1, 0, 0) direction. Cd2+ is bonded to two equivalent O2- and four equivalent I1- atoms to form edge-sharing CdI4O2 octahedra. Both Cd–O bond lengths are 2.45 Å. There are two shorter (2.98 Å) and two longer (2.99 Å) Cd–I bond lengths. C2+ is bonded in a trigonal planar geometry to one N3-, one H1+, and one O2- atom. The C–N bond length is 1.33 Å. The C–H bond length is 1.10 Å. The C–O bond length is 1.26 Å. N3- is bonded in a trigonal planar geometry to one C2+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one C2+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1104248
- 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; CdH6C2I2(NO)2; C-Cd-H-I-N-O
- OSTI Identifier:
- 1666981
- DOI:
- https://doi.org/10.17188/1666981
Citation Formats
The Materials Project. Materials Data on CdH6C2I2(NO)2 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1666981.
The Materials Project. Materials Data on CdH6C2I2(NO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1666981
The Materials Project. 2018.
"Materials Data on CdH6C2I2(NO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1666981. https://www.osti.gov/servlets/purl/1666981. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1666981,
title = {Materials Data on CdH6C2I2(NO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CdC2H6I2(NO)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one CdC2H6I2(NO)2 ribbon oriented in the (1, 0, 0) direction. Cd2+ is bonded to two equivalent O2- and four equivalent I1- atoms to form edge-sharing CdI4O2 octahedra. Both Cd–O bond lengths are 2.45 Å. There are two shorter (2.98 Å) and two longer (2.99 Å) Cd–I bond lengths. C2+ is bonded in a trigonal planar geometry to one N3-, one H1+, and one O2- atom. The C–N bond length is 1.33 Å. The C–H bond length is 1.10 Å. The C–O bond length is 1.26 Å. N3- is bonded in a trigonal planar geometry to one C2+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one C2+ atom. I1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms.},
doi = {10.17188/1666981},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}