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Towards MXPn ‐Type Compounds in the Systems Ge‐I‐ Pn ( Pn = P, As) – New Insights in the Structures and Properties of Inverse Type I Clathrates
Author(s) -
Baumer Franziska,
Reiter Felix,
Nilges Tom
Publication year - 2017
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.201700231
Subject(s) - inverse , ternary operation , crystal structure , rietveld refinement , type (biology) , lattice (music) , thermoelectric effect , crystallography , materials science , chemistry , thermodynamics , physics , mathematics , geometry , ecology , computer science , acoustics , programming language , biology
Two ternary systems, Ge‐I‐P and Ge‐I‐As were investigated for the existence of double helical GeI Pn phases ( Pn = P, As). However, experiments in the temperature range of 673–1073 K always led to the formation of inverse type I clathrates. Optimization of the synthesis parameters resulted in phase pure samples for both clathrates on a gram scale. We found slightly varying compositions than for clathrates reported before in the two systems. Structural characterization by means of single crystal analysis and Rietveld refinement showed a defect model for the guest structures in combination with a mixed site occupancy for the host lattice sites. Both compounds reveal promising thermal conductivities and Seebeck coefficients but only small overall electrical conductivities.