Rhombohedral Distortion of the Cubic MgCu2-Type Structure in Ca2Pt3Ga and Ca2Pd3Ga

Rhombohedral Distortion of the Cubic MgCu2-Type Structure in Ca2Pt3Ga and Ca2Pd3Ga

Two new fully ordered ternary Laves phase compounds, Ca2Pt3Ga and Ca2Pd3Ga, have been synthesized and characterized by powder and single-crystal X-ray diffraction along with electronic structure calculations. Ca2Pd3Ga was synthesized as a pure phase whereas Ca2Pt3Ga was found as a diphasic product w...

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Bibliographic Details
Main Authors: Asa Toombs, Gordon J. Miller
Format: Article
Language:English
Published: MDPI AG 2018-04-01
Series:Crystals
Subjects:
coloring problem
band structure
structure optimizations
polar intermetallics
ternary Laves phases
electronic structure
X-ray diffraction
total energy
Online Access:http://www.mdpi.com/2073-4352/8/5/186

Internet

http://www.mdpi.com/2073-4352/8/5/186

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