Materials Data on CdC3NCl3 by Materials Project
CdCl2ClC1C2N crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of eight 1-chloromethylaziridine molecules and four CdCl2 ribbons oriented in the (1, 0, 0) direction. In each CdCl2 ribbon, Cd2+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Cd–Cl bond distances ranging from 2.47–2.58 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Cd2+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1690882
- Report Number(s):
- mp-1199754
- Country of Publication:
- United States
- Language:
- English
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