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2005
Structure
D 2000
29- 009
B5C5 Anionic Molecules Trapped in a Solid Matrix: The Crystal and Electronic
Structures of LaBC. — The title compound is prepared by arc melting of pressed pellets of the pure elements and subsequent annealing at 1000 °C (7 d). LaBC crystallizes
with a new structure type in the orthorhombic space group P212121 (single crystal
XRD). The structure consists of a three-dimensional framework of lanthanum atoms
resulting from the stacking of slightly corrugated two-dimensional square nets, leading
to voids filled with B5C5 finite chains. DFT calculations reveal significant covalent
bonding between the lanthanum framework and the boron—carbon chains. Isostructural compounds are formed with Ce, Pr, Nd and Sm. — (BABIZHETSKYY, V.;
MATTAUSCH, H.; GAUTIER*, R.; BAUER, J.; HALET, J.-F.; SIMON, A.;
Z. Anorg. Allg. Chem. 631 (2005) 6-7, 1041-1046; Lab. Chim. Solide Inorg. Mol.,
CNRS, Univ. Rennes, F-35042 Rennes, Fr.; Eng.) — Schramke
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