Materials Data on Ca(AlZn)2 by Materials Project
CaAl2Zn2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Al atoms. All Ca–Zn bond lengths are 3.18 Å. All Ca–Al bond lengths are 3.51 Å. Zn is bonded in a 9-coordinate geometry to four equivalent Ca, one Zn, and four equivalent Al atoms. The Zn–Zn bond length is 2.48 Å. All Zn–Al bond lengths are 2.62 Å. Al is bonded to four equivalent Ca, four equivalent Zn, and four equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing AlCa4Al4Zn4 cuboctahedra. All Al–Al bond lengths are 2.93 Å.
- 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:
- 1204591
- Report Number(s):
- mp-30175
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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