Materials Data on Ca3Al2Ge3 by Materials Project
Ca3Al2Ge3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 11-coordinate geometry to five Al and six Ge atoms. There are a spread of Ca–Al bond distances ranging from 3.07–3.32 Å. There are a spread of Ca–Ge bond distances ranging from 3.07–3.49 Å. In the second Ca site, Ca is bonded in a 4-coordinate geometry to three Al and five Ge atoms. There are two shorter (3.28 Å) and one longer (3.42 Å) Ca–Al bond lengths. There are a spread of Ca–Ge bond distances ranging from 3.02–3.48 Å. In the third Ca site, Ca is bonded in a 6-coordinate geometry to three Al and six Ge atoms. There are one shorter (3.18 Å) and two longer (3.46 Å) Ca–Al bond lengths. There are a spread of Ca–Ge bond distances ranging from 3.01–3.26 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to five Ca and four Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.57–2.79 Å. In the second Al site, Al is bonded in a 4-coordinate geometry to six Ca and four Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.61–2.65 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to five Ca and three Al atoms. In the second Ge site, Ge is bonded in a 7-coordinate geometry to five Ca and three Al atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to seven Ca and two Al 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:
- 1202133
- Report Number(s):
- mp-27997
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ca2As3 by Materials Project
Materials Data on Ca4Ge3Au5 by Materials Project