The structural details of the X4Y2Z compounds with I-42d symmetry

Tetragonal Space Group - an overview

Tetragonal Space Group - an overview

Unit cell diagrams of CuInSe 2 (I42d) chalcopyrite structure (left) and

Maarten G. Goesten's research works Aarhus University (AU) and other places

The structural details of the X4Y2Z compounds with I-42d symmetry

Tetragonal Space Group - an overview

The structural details of the X4Y2Z compounds with I-42d symmetry

For D4h symmetry, use sketches to show that dxy orbitals have B2g symmetry and that dx2-y2 orbitals have B1g symmetry.

Maximilian AMSLER, Scientist, PhD, Cornell University, Ithaca, CU, Laboratory of Atomic and Solid State Physics

Color online) Formation energies E PBE DFT , F PBE 0 K , F PBE 100 K

Color online) Cmca (left) and I 4 m 2 (right) phases of LiZn 2 (BH 4 )

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