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Title: Synthesis and structural characterization of the type-I clathrates K 8Al xSn 46–x and Rb 8Al xSn 46–x (x $≃$ 6.4–9.7)

Abstract

In this work, exploratory studies in the systems A–Al–Sn (A = K and Rb) yielded the clathrates K 8Al xSn 46–x (potassium aluminium stannide) and Rb 8Al xSn 46–x (rubidium aluminium stannide), both with the cubic type-I structure (space group Pm 3 ¯ n, No. 223; a ≃ 12.0 Å). The Al:Sn ratio is close to the idealized A 8Al 8Sn 38 com­position and it is shown that it can be varied slightly, in the range of ca ± 1.5, depending on the experimental conditions. Both the (Sn,Al) 20 and the (Sn,Al) 24 cages in the structure are fully occupied by the guest alkali metal atoms, i.e. K or Rb. The A 8Al 8Sn 38 formula has a valence electron count that obeys the valence rules and represents an intrinsic semiconductor, while the experimentally determined com­positions 8Al 8±xSn 38∓x suggest the synthesized materials to be nearly charge-balanced Zintl phases, i.e. they are likely to behave as heavily doped p- or n-type semiconductors.

Authors:
ORCiD logo [1];  [1]; ORCiD logo [1]
  1. Univ. of Delaware, Newark, DE (United States)
Publication Date:
Research Org.:
Univ. of Delaware, Newark, DE (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1595738
Grant/Contract Number:  
SC0008885
Resource Type:
Accepted Manuscript
Journal Name:
Acta Crystallographica. Section C, Structural Chemistry (Online)
Additional Journal Information:
Journal Name: Acta Crystallographica. Section C, Structural Chemistry (Online); Journal Volume: 75; Journal Issue: 11; Journal ID: ISSN 2053-2296
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; clathrates; type-I structure; Zintl phases; crystal chemistry

Citation Formats

Baranets, Sviatoslav, Schäfer, Marion, and Bobev, Svilen. Synthesis and structural characterization of the type-I clathrates K8AlxSn46–x and Rb8AlxSn46–x (x $≃$ 6.4–9.7). United States: N. p., 2019. Web. doi:10.1107/S205322961901427X.
Baranets, Sviatoslav, Schäfer, Marion, & Bobev, Svilen. Synthesis and structural characterization of the type-I clathrates K8AlxSn46–x and Rb8AlxSn46–x (x $≃$ 6.4–9.7). United States. doi:10.1107/S205322961901427X.
Baranets, Sviatoslav, Schäfer, Marion, and Bobev, Svilen. Thu . "Synthesis and structural characterization of the type-I clathrates K8AlxSn46–x and Rb8AlxSn46–x (x $≃$ 6.4–9.7)". United States. doi:10.1107/S205322961901427X.
@article{osti_1595738,
title = {Synthesis and structural characterization of the type-I clathrates K8AlxSn46–x and Rb8AlxSn46–x (x $≃$ 6.4–9.7)},
author = {Baranets, Sviatoslav and Schäfer, Marion and Bobev, Svilen},
abstractNote = {In this work, exploratory studies in the systems A–Al–Sn (A = K and Rb) yielded the clathrates K8AlxSn46–x (potassium aluminium stannide) and Rb8AlxSn46–x (rubidium aluminium stannide), both with the cubic type-I structure (space group Pm 3 ¯n, No. 223; a ≃ 12.0 Å). The Al:Sn ratio is close to the idealized A8Al8Sn38 com­position and it is shown that it can be varied slightly, in the range of ca ± 1.5, depending on the experimental conditions. Both the (Sn,Al)20 and the (Sn,Al)24 cages in the structure are fully occupied by the guest alkali metal atoms, i.e. K or Rb. The A8Al8Sn38 formula has a valence electron count that obeys the valence rules and represents an intrinsic semiconductor, while the experimentally determined com­positions 8Al8±xSn38∓x suggest the synthesized materials to be nearly charge-balanced Zintl phases, i.e. they are likely to behave as heavily doped p- or n-type semiconductors.},
doi = {10.1107/S205322961901427X},
journal = {Acta Crystallographica. Section C, Structural Chemistry (Online)},
number = 11,
volume = 75,
place = {United States},
year = {2019},
month = {10}
}

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