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Crystals 2015, 5(4), 433-446; doi:10.3390/cryst5040433

Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)

Department of Chemistry and Biochemistry, University of Delaware, Newark, DE 19716, USA
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Academic Editor: Gerd Meyer
Received: 3 September 2015 / Revised: 15 September 2015 / Accepted: 17 September 2015 / Published: 24 September 2015
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Abstract

The new ternary arsenides AE3TrAs3 (AE = Sr, Ba; Tr = Al, Ga) and their phosphide analogs Sr3GaP3 and Ba3AlP3 have been prepared by reactions of the respective elements at high temperatures. Single-crystal X-ray diffraction studies reveal that Sr3AlAs3 and Ba3AlAs3 adopt the Ba3AlSb3-type structure (Pearson symbol oC56, space group Cmce, Z = 8). This structure is also realized for Sr3GaP3 and Ba3AlP3. The compounds Sr3GaAs3 and Ba3GaAs3 crystallize with the Ba3GaSb3-type structure (Pearson symbol oP56, space group Pnma, Z = 8). Both structures are made up of isolated pairs of edge-shared AlPn4 and GaPn4 tetrahedra (Pn = pnictogen, i.e., P or As), separated by the alkaline-earth Sr2+ and Ba2+ cations. In both cases, there are no homoatomic bonds, hence, regardless of the slightly different atomic arrangements, both structures can be rationalized as valence-precise [AE2+]3[Tr3+][Pn3−]3, or rather [AE2+]6[Tr2Pn6]12−, i.e., as Zintl phases. View Full-Text
Keywords: arsenide; barium; crystal structure; phosphide; strontium; Zintl phases arsenide; barium; crystal structure; phosphide; strontium; Zintl phases
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Stoyko, S.S.; Voss, L.H.; He, H.; Bobev, S. Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As). Crystals 2015, 5, 433-446.

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