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A Borosilicide with Clathrate VIII Structure

Hübner, Julia Maria LU ; Carrillo-Cabrera, Wilder ; Kozelj, Primoz ; Prots, Yurii ; Baitinger, Michael ; Schwarz, Ulrich and Jung, Walter (2022) In Journal of the American Chemical Society 144(30). p.13456-13460
Abstract

The high-pressure phase Na8BxSi46-x(3 < x < 5) is the first representative of a borosilicide crystallizing in the rarely occurring clathrate VIII type structure. Crystals with composition Na8B4Si42(space group I43¯ m; a = 9.7187(2) Å Pearson symbol cI54) were obtained at 5-8 GPa and 1200 K. The clathrate I modification exists for the same composition at lower pressure with a larger cell volume (Pm3¯ n; a = 9. 977(2) Å cP54). Profound structural adaptions allow for a higher density of the clathrate VIII type than clathrate I, opening up the perspective of obtaining clathrate VIII type compounds as high-pressure forms of clathrate I.

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author
; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of the American Chemical Society
volume
144
issue
30
pages
5 pages
publisher
The American Chemical Society (ACS)
external identifiers
  • pmid:35875975
  • scopus:85135596869
ISSN
0002-7863
DOI
10.1021/jacs.2c04745
language
English
LU publication?
yes
id
7093f20a-f13a-49c8-b0e8-3d2bba9c0de4
date added to LUP
2022-10-18 15:21:28
date last changed
2024-05-02 10:25:21
@article{7093f20a-f13a-49c8-b0e8-3d2bba9c0de4,
  abstract     = {{<p>The high-pressure phase Na<sub>8</sub>B<sub>x</sub>Si<sub>46-x</sub>(3 &lt; x &lt; 5) is the first representative of a borosilicide crystallizing in the rarely occurring clathrate VIII type structure. Crystals with composition Na<sub>8</sub>B<sub>4</sub>Si<sub>42</sub>(space group I43¯ m; a = 9.7187(2) Å Pearson symbol cI54) were obtained at 5-8 GPa and 1200 K. The clathrate I modification exists for the same composition at lower pressure with a larger cell volume (Pm3¯ n; a = 9. 977(2) Å cP54). Profound structural adaptions allow for a higher density of the clathrate VIII type than clathrate I, opening up the perspective of obtaining clathrate VIII type compounds as high-pressure forms of clathrate I.</p>}},
  author       = {{Hübner, Julia Maria and Carrillo-Cabrera, Wilder and Kozelj, Primoz and Prots, Yurii and Baitinger, Michael and Schwarz, Ulrich and Jung, Walter}},
  issn         = {{0002-7863}},
  language     = {{eng}},
  number       = {{30}},
  pages        = {{13456--13460}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{Journal of the American Chemical Society}},
  title        = {{A Borosilicide with Clathrate VIII Structure}},
  url          = {{http://dx.doi.org/10.1021/jacs.2c04745}},
  doi          = {{10.1021/jacs.2c04745}},
  volume       = {{144}},
  year         = {{2022}},
}