Materials Data on Ca3(GaPd)2 by Materials Project
Ca3(PdGa)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to four equivalent Pd and five Ga atoms. There are a spread of Ca–Pd bond distances ranging from 3.04–3.17 Å. There are a spread of Ca–Ga bond distances ranging from 3.13–3.48 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Pd and three equivalent Ga atoms. There are two shorter (3.18 Å) and two longer (3.19 Å) Ca–Pd bond lengths. There are a spread of Ca–Ga bond distances ranging from 3.07–3.21 Å. Pd is bonded in a 9-coordinate geometry to six Ca and three Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.59–2.64 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Ca and four equivalent Pd atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to seven Ca and two equivalent Pd 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:
- 1205694
- Report Number(s):
- mp-31480
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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