z-logo
Premium
The Phosphidosilicates SrSi 7 P 10 and BaSi 7 P 10
Author(s) -
Haffner Arthur,
Weippert Valentin,
Johrendt Dirk
Publication year - 2021
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.202000296
Subject(s) - triclinic crystal system , crystallography , crystal structure , crystal (programming language) , diamond , x ray crystallography , single crystal , materials science , chemistry , diffraction , physics , optics , computer science , composite material , programming language
The new phosphidosilicates SrSi 7 P 10 and BaSi 7 P 10 were synthesized by solid‐state reactions, and their crystal structures determined by single‐crystal X‐ray diffraction [ P 1, Z = 1, SrSi 7 P 10 : a = 6.1521(1) Å, b = 8.0420(2) Å, c = 8.1374(2) Å, α = 106.854(1)°, β = 99.020(1)°, γ = 105.190(1)°; BaSi 7 P 10 : a = 6.1537(1) Å, b = 8.0423(2) Å, c = 8.1401(2) Å, α = 106.863(1)°, β = 99.050(1)°, γ = 105.188(1)°]. The compounds crystallize in a new triclinic structure type with vertex sharing SiP 4 tetrahedra, which assemble a non‐centrosymmetric diamond‐like network of T2 supertetrahedra. The alkaline earth cations reside in cuboctahedral voids. 31 P solid‐state MAS‐NMR spectra confirm the crystal structure. SrSi 7 P 10 and BaSi 7 P 10 exhibit the lowest charged SiP network in phosphidosilicates so far. Full‐potential DFT calculations classify both compounds as semiconductors with small indirect bandgaps of 1.1 eV.

This content is not available in your region!

Continue researching here.

Having issues? You can contact us here