Ca14GaAs11: A new compound containing discrete GaAs4 tetrahedra and a hypervalent As3 polyatomic unit

Susan M. Kauzlarich, Michele M. Thomas, Debra A. Odink, Marilyn M. Olmstead

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38 Scopus citations


In the course of investigating the synthesis and properties of several ternary Ga-As Zintl compounds, a new Zintl compound has been prepared: Ca14GaAs11. This compound has been prepared in high yield from the stoichiometric combination of the elements in a sealed Nb tube, sealed in an evacuated quartz ampule, at 1100 °C for 4 days. It crystallizes in the tetragonal space group I41/acd with lattice parameters a = 15.642 (2) Å and c = 21.175 (4) Å (room temperature). Single-crystal X-ray diffraction data were collected at 130 K (I41/acd, Z = 8, a = 15.620 (3) Å, and c = 21.138 (4) Å). Its structure is composed of isolated GaAs4 tetrahedra that are separated by As3 linear units, As and Ca. The As3 units are situated between the tetrahedra and alternate by 90° down the c axis. Although the As-As distance in the As3 unit is rather long (2.956 (2) Å), it is consistent with the long I-I distance observed in the isoelectronic, hypervalent I3 - anion and therefore is considered to be formally an As3 7- anion. Optical data are consistent with a semiconducting compound, indicating an optical band gap of about 1.49 eV, slightly higher in energy than that observed for GaAs. The synthesis, structure, and bonding in this compound will be discussed.

Original languageEnglish (US)
Pages (from-to)7205-7208
Number of pages4
JournalJournal of the American Chemical Society
Issue number19
StatePublished - 1991

ASJC Scopus subject areas

  • Chemistry(all)


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