Neutron Diffraction Analysis of NASICON‐type Li 1+ x  Al  x  Ti 2– x  P 3 O 12 | Zendy

Dashjav Enkhtsetseg | Zendy; Tietz Frank | Zendy

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Neutron Diffraction Analysis of NASICON‐type Li 1+ x Al x Ti 2– x P 3 O 12

Author(s) -

Dashjav Enkhtsetseg,

Tietz Frank

Publication year - 2014

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.201400195

Subject(s) - neutron diffraction , fast ion conductor , x ray crystallography , crystallography , crystal structure , materials science , diffraction , ion , analytical chemistry (journal) , impurity , chemistry , physics , electrolyte , organic chemistry , electrode , chromatography , optics

Powder neutron diffraction analysis was carried out on a sample of Li 1+ x Al x Ti 2– x P 3 O 12 at two temperatures, 10 K and 300 K. After heat treatment the material contained small amounts of LiTiOPO 4 as impurity. Refinement of the neutron diffraction data confirmed that the main phase crystallized with a NASICON structure. No structural change was observed at low temperature. Al atoms randomly substituted Ti atoms, and additional Li atoms occupied a second site in the crystal structure. A detailed analysis of the diffraction data, including the inspection of Fourier difference maps, indicated that these excess Li + ions occupied a 6 a site within the ion conduction channels of the NASICON‐type structure instead of the formerly reported 18 e or 36 f sites.

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