A rare-earth-containing compound, ytterbium aluminium antimonide, Yb₃AlSb₃ (Ca₃AlAs₃-type structure), has been successfully synthesized within the Yb–Al–Sb system through flux methods. According to the Zintl formalism, this structure is nominally made up of (Yb²⁺)₃[(Al¹⁻)(1b – Sb²⁻)₂(2b – Sb¹⁻)], where 1b and 2b indicate 1-bonded and 2-bonded, respectively, and Al is treated as part of the covalent anionic network. The crystal structure features infinite corner-sharing AlSb₄ tetrahedra, [AlSb₂Sb_2/2]⁶⁻, with Yb²⁺ cations residing between the tetrahedra to provide charge balance. Herein, the synthetic conditions, the crystal structure determined from single-crystal X-ray diffraction data, and electronic structure calculations are reported.

中文翻译：

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Yb-Al-Sb 族中含稀土的 Zintl 相的晶体结构表征和电子结构：Yb3AlSb3

已经通过助熔剂方法在 Yb-Al-Sb 系统中成功合成了一种含稀土化合物，锑化镱铝，Yb ₃ AlSb ₃（Ca ₃ AlAs ₃型结构）。根据 Zintl 形式主义，该结构名义上由 (Yb ²⁺ ) ₃ [(Al ¹⁻ )( 1b – Sb ²⁻ ) ₂ ( 2b – Sb ¹⁻ )] 组成，其中1b和2b表示 1-bonded和 2 键，Al 被视为共价阴离子网络的一部分。晶体结构具有无限共角AlSb₄四面体，[AlSb ₂ Sb _2/2 ] ^6-，Yb ²⁺阳离子位于四面体之间以提供电荷平衡。本文报道了合成条件、由单晶 X 射线衍射数据确定的晶体结构和电子结构计算。