Materials Data on Cd2As3Br by Materials Project
Cd2As3Br crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cd2+ is bonded in a 4-coordinate geometry to three As1- and one Br1- atom. There are a spread of Cd–As bond distances ranging from 2.68–2.79 Å. The Cd–Br bond length is 2.83 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded to two equivalent Cd2+ and two As1- atoms to form distorted corner-sharing AsCd2As2 trigonal pyramids. There are one shorter (2.46 Å) and one longer (2.48 Å) As–As bond lengths. In the second As1- site, As1- is bonded to two equivalent Cd2+ and two equivalent As1- atoms to form distorted corner-sharing AsCd2As2 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1202976
- Report Number(s):
- mp-28900
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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