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Title: Synthesis, Crystal and Electronic Structures of the Pnictides AE 3TrPn 3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)

New ternary arsenides AE 3TrAs 3 (AE = Sr, Ba; Tr = Al, Ga) and their phosphide analogs Sr 3GaP 3 and Ba 3AlP 3 have been prepared by reactions of the respective elements at high temperatures. Single-crystal X-ray diffraction studies reveal that Sr 3AlAs 3 and Ba 3AlAs 3 adopt the Ba 3AlSb 3-type structure (Pearson symbol oC56, space group Cmce, Z = 8). This structure is also realized for Sr 3GaP 3 and Ba 3AlP 3. Likewise, the compounds Sr 3GaAs 3 and Ba 3GaAs 3 crystallize with the Ba 3GaSb 3-type structure (Pearson symbol oP56, space group Pnma, Z = 8). Both structures are made up of isolated pairs of edge-shared AlPn 4 and GaPn 4 tetrahedra (Pn = pnictogen, i.e., P or As), separated by the alkaline-earth Sr 2+ and Ba 2+ 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 [AE 2+] 3[Tr 3+][Pn 3-] 3, or rather [AE 2+] 6[Tr 2Pn 6] 12-, i.e., as Zintl phases.
Authors:
 [1] ;  [1] ;  [1] ;  [1]
  1. Univ. of Delaware, Newark, DE (United States)
Publication Date:
Grant/Contract Number:
SC0008885
Type:
Accepted Manuscript
Journal Name:
Crystals
Additional Journal Information:
Journal Volume: 5; Journal Issue: 4; Journal ID: ISSN 2073-4352
Publisher:
MDPI
Research Org:
Univ. of Delaware, Newark, DE (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; arsenide; barium; crystal structure; phosphide; strontium; Zintl phases
OSTI Identifier:
1240617

Stoyko, Stanislav, Voss, Leonard, He, Hua, and Bobev, Svilen. Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As). United States: N. p., Web. doi:10.3390/cryst5040433.
Stoyko, Stanislav, Voss, Leonard, He, Hua, & Bobev, Svilen. Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As). United States. doi:10.3390/cryst5040433.
Stoyko, Stanislav, Voss, Leonard, He, Hua, and Bobev, Svilen. 2015. "Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)". United States. doi:10.3390/cryst5040433. https://www.osti.gov/servlets/purl/1240617.
@article{osti_1240617,
title = {Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)},
author = {Stoyko, Stanislav and Voss, Leonard and He, Hua and Bobev, Svilen},
abstractNote = {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. Likewise, 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.},
doi = {10.3390/cryst5040433},
journal = {Crystals},
number = 4,
volume = 5,
place = {United States},
year = {2015},
month = {9}
}