Materials Data on CdCBr3N by Materials Project
CdBr3CN crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of four hydrogen cyanide molecules and two CdBr3 ribbons oriented in the (0, 0, 1) direction. In each CdBr3 ribbon, Cd2+ is bonded to six Br1- atoms to form face-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.80–2.82 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate 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:
- 1652874
- Report Number(s):
- mp-1102642
- Country of Publication:
- United States
- Language:
- English
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