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Ca3Ag1+xGe3-x (x=1/3): New Transition Metal Zintl Phase with Intergrowth Structure and Alloying with Aluminum Metal

Ponou, Simeon LU and Lidin, Sven LU (2013) In Zeitschrift für Anorganische und Allgemeine Chemie 639(1). p.35-40
Abstract
The ternary Zintl phase Ca3Ag1+xGe3x (x = 1/3) was synthesized by the high-temperature solid-state technique and its crystal structure was refined from single-crystal diffraction data. The compound Ca3Ag1.32Ge2.68(1) adopts the Sc3NiSi3 type structure, crystal data: space group C2/m, a = 10.813(1) angstrom, b = 4.5346(4) angstrom, c = 14.3391(7) angstrom, beta = 110.05(1)degrees and V = 660.48(10) angstrom 3 for Z = 4. Its structure can be interpreted as an intergrowth of fragments cut from the CaGe (CrB-type) and the CaAg1+xGe1x (TiNiSi-type) structures, and it therefore represents an alkaline-earth member of the structure series with the general formula R2+nT2X2+n with n = 4. Unlike the rare-earth homologues that are fully ordered... (More)
The ternary Zintl phase Ca3Ag1+xGe3x (x = 1/3) was synthesized by the high-temperature solid-state technique and its crystal structure was refined from single-crystal diffraction data. The compound Ca3Ag1.32Ge2.68(1) adopts the Sc3NiSi3 type structure, crystal data: space group C2/m, a = 10.813(1) angstrom, b = 4.5346(4) angstrom, c = 14.3391(7) angstrom, beta = 110.05(1)degrees and V = 660.48(10) angstrom 3 for Z = 4. Its structure can be interpreted as an intergrowth of fragments cut from the CaGe (CrB-type) and the CaAg1+xGe1x (TiNiSi-type) structures, and it therefore represents an alkaline-earth member of the structure series with the general formula R2+nT2X2+n with n = 4. Unlike the rare-earth homologues that are fully ordered phases, one seventh of the atomic sites in the unit cell of the title compound are mixed occupied (roughly 2/3Ge and 1/3Ag), and this can be explained by the Zintl concept. The alloying of this phase using aluminum metal yielded the isotypic solid solution Ca3(Ag/Al)1+xGe3x, in which the aluminum for silver substitution is strictly localized in the TiNiSi substructure, revealing the very different functionality of the two building blocks. (Less)
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author
and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Intergrowth structure, Zintl phases, Silver, Germanide
in
Zeitschrift für Anorganische und Allgemeine Chemie
volume
639
issue
1
pages
35 - 40
publisher
Wiley-Blackwell
external identifiers
  • wos:000313874700007
  • scopus:84872296780
ISSN
0044-2313
DOI
10.1002/zaac.201200364
language
English
LU publication?
yes
additional info
The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Polymer and Materials Chemistry (LTH) (011001041)
id
476bbad7-3379-45f1-b02a-41897bb17fd4 (old id 3590917)
date added to LUP
2016-04-01 12:53:28
date last changed
2022-01-27 08:07:10
@article{476bbad7-3379-45f1-b02a-41897bb17fd4,
  abstract     = {{The ternary Zintl phase Ca3Ag1+xGe3x (x = 1/3) was synthesized by the high-temperature solid-state technique and its crystal structure was refined from single-crystal diffraction data. The compound Ca3Ag1.32Ge2.68(1) adopts the Sc3NiSi3 type structure, crystal data: space group C2/m, a = 10.813(1) angstrom, b = 4.5346(4) angstrom, c = 14.3391(7) angstrom, beta = 110.05(1)degrees and V = 660.48(10) angstrom 3 for Z = 4. Its structure can be interpreted as an intergrowth of fragments cut from the CaGe (CrB-type) and the CaAg1+xGe1x (TiNiSi-type) structures, and it therefore represents an alkaline-earth member of the structure series with the general formula R2+nT2X2+n with n = 4. Unlike the rare-earth homologues that are fully ordered phases, one seventh of the atomic sites in the unit cell of the title compound are mixed occupied (roughly 2/3Ge and 1/3Ag), and this can be explained by the Zintl concept. The alloying of this phase using aluminum metal yielded the isotypic solid solution Ca3(Ag/Al)1+xGe3x, in which the aluminum for silver substitution is strictly localized in the TiNiSi substructure, revealing the very different functionality of the two building blocks.}},
  author       = {{Ponou, Simeon and Lidin, Sven}},
  issn         = {{0044-2313}},
  keywords     = {{Intergrowth structure; Zintl phases; Silver; Germanide}},
  language     = {{eng}},
  number       = {{1}},
  pages        = {{35--40}},
  publisher    = {{Wiley-Blackwell}},
  series       = {{Zeitschrift für Anorganische und Allgemeine Chemie}},
  title        = {{Ca3Ag1+xGe3-x (x=1/3): New Transition Metal Zintl Phase with Intergrowth Structure and Alloying with Aluminum Metal}},
  url          = {{http://dx.doi.org/10.1002/zaac.201200364}},
  doi          = {{10.1002/zaac.201200364}},
  volume       = {{639}},
  year         = {{2013}},
}