Sheng-Qing Xia

Xu-Tang Tao2
Ming-Yan Pan1
2Xu-Tang Tao
1Ming-Yan Pan
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The chemical bonding and the electronic band structures of two isoelectronic and isostructural Zintl compounds, Sr(11)Cd(6)Sb(12) and Ba(11)Cd(6)Sb(12), have been studied on the basis of the density-functional theory (DFT) using the tight-binding linear-muffin-tin-orbital (TB-LMTO-ASA) approach and the local-density approximation (LDA). These results reveal(More)
The title compound, penta-barium tetra-indium hexa-anti-mony, was synthesized by an indium-flux reaction and its structure features layers composed of edge-sharing In2Sb6 units. The voids between the In4Sb6 layers are filled by Ba(2+) cations, which are all surrounded by six Sb atoms and form bicapped octa-hedral or triangular prismatic coordination(More)
The previous structure determination of the title compound, dibarium tritelluridocadmate, was based on powder X-ray diffraction data [Wang & DiSalvo (1999 ▶). J. Solid State Chem.148, 464-467]. In the current redetermination from single-crystal X-ray data, all atoms were refined with anisotropic displacement parameters. The previous structure report is(More)
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