Materials Data on Ca(AlGa)2 by Materials Project
Ca(GaAl)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Ga and eight equivalent Al atoms. All Ca–Ga bond lengths are 3.28 Å. All Ca–Al bond lengths are 3.49 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Ca, one Ga, and four equivalent Al atoms. The Ga–Ga bond length is 2.49 Å. All Ga–Al bond lengths are 2.62 Å. Al is bonded to four equivalent Ca and four equivalent Ga atoms to form a mixture of distorted edge, face, and corner-sharing AlCa4Ga4 tetrahedra.
- 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:
- 1313518
- Report Number(s):
- mp-9690
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ba(AlGa)2 by Materials Project
Materials Data on Sr(AlGa)2 by Materials Project
Materials Data on Nd(AlGa)2 by Materials Project
Dataset
·
Mon May 04 00:00:00 EDT 2020
·
OSTI ID:1685083
Materials Data on Sr(AlGa)2 by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1725623
Materials Data on Nd(AlGa)2 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1273801