Supertetrahedral Networks and Lithium‐Ion Mobility in Li2SiP2 and LiSi2P3 |
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| Authors: | M?Sc Arthur Haffner Dr Thomas Bräuniger Prof?Dr Dirk Johrendt |
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| Affiliation: | Department Chemie, Ludwig-Maximilians-Universit?t München, München, Germany |
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| Abstract: | The new phosphidosilicates Li2SiP2 and LiSi2P3 were synthesized by heating the elements at 1123 K and characterized by single‐crystal X‐ray diffraction. Li2SiP2 (I41/acd, Z=32, a=12.111(1) Å, c=18.658(2) Å) contains two interpenetrating diamond‐like tetrahedral networks consisting of corner‐sharing T2 supertetrahedra (SiP4/2)4]. Sphalerite‐like interpenetrating networks of uniquely bridged T4 and T5 supertetrahedra make up the complex structure of LiSi2P3 (I41/a, Z=100, a=18.4757(3) Å, c=35.0982(6) Å). The lithium ions are located in the open spaces between the supertetrahedra and coordinated by four to six phosphorus atoms. Temperature‐dependent 7Li solid‐state MAS NMR spectroscopic data indicate high mobility of the Li+ ions with low activation energies of 0.10 eV in Li2SiP2 and 0.07 eV in LiSi2P3. |
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| Keywords: | crystal structures ion mobility 7Li MAS NMR spectroscopy lithium phosphidosilicates |
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