Materials Data on Cd(W3Br7)2 by Materials Project
Cd(W3Br7)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W2+ is bonded to five Br1- atoms to form WBr5 square pyramids that share a cornercorner with one CdBr6 octahedra and edges with four equivalent WBr5 square pyramids. The corner-sharing octahedral tilt angles are 46°. There are a spread of W–Br bond distances ranging from 2.64–2.66 Å. Cd2+ is bonded to six equivalent Br1- atoms to form CdBr6 octahedra that share corners with six equivalent WBr5 square pyramids. All Cd–Br bond lengths are 2.86 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms. In the second Br1- site, Br1- is bonded in a distorted bent 120 degrees geometry to one W2+ and one Cd2+ atom. In the third Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W2+ 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:
- 1203128
- Report Number(s):
- mp-29052
- Country of Publication:
- United States
- Language:
- English
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