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However, reliable structural data for the reported phases have remained elusive. Motivated by the growing interest in phosphorus\u2010based lithium\u2010ion conductors, we have reinvestigated the synthesis, crystal structure, and physical properties of Li\n                    <jats:sub>8<\/jats:sub>\n                    TiP\n                    <jats:sub>4<\/jats:sub>\n                    . Phase pure Li\n                    <jats:sub>8<\/jats:sub>\n                    TiP\n                    <jats:sub>4<\/jats:sub>\n                    was obtained, which crystallizes in the tetragonal space group\n                    <jats:italic>P<\/jats:italic>\n                    4\n                    <jats:sub>2<\/jats:sub>\n                    <jats:italic>mc<\/jats:italic>\n                    (no. 105) with\n                    <jats:italic>a<\/jats:italic>\n                    \u2009=\u20098.37581(2)\u2009\u00c5 and\n                    <jats:italic>c<\/jats:italic>\n                    \u2009=\u20095.90489(2)\u2009\u00c5. According to a structure determination from X\u2010ray diffraction powder data, Li\n                    <jats:sub>8<\/jats:sub>\n                    TiP\n                    <jats:sub>4<\/jats:sub>\n                    is closely related to known Li\n                    <jats:sub>8<\/jats:sub>\n                    <jats:italic>Tt<\/jats:italic>\n                    P\n                    <jats:sub>4<\/jats:sub>\n                    with\n                    <jats:italic>Tt<\/jats:italic>\n                    \u2009=\u2009Si, Ge, and Sn, but adapts a different structure type. Basic structural findings are confirmed by solid state\n                    <jats:sup>6<\/jats:sup>\n                    Li and\n                    <jats:sup>31<\/jats:sup>\n                    P NMR spectroscopy. DFT calculations reveal a band gap of 2.5\u2009eV and a good correlation between theoretical and experimental Raman spectra. From potentiostatic impedance spectroscopy an ion conductivity of (4.3\u2009\u00b1\u20090.6)\u2009\u00d7\u200910\n                    <jats:sup>\u22126<\/jats:sup>\n                    \u2009S\u2219cm\n                    <jats:sup>\u22121<\/jats:sup>\n                    at 298\u2009K was found. In addition to the investigation of ternary Li\n                    <jats:sub>8<\/jats:sub>\n                    TiP\n                    <jats:sub>4<\/jats:sub>\n                    , an isotypic quaternary Ta\u2010containing phase is observed and studied by single crystal structure determination. Special emphasis in this study is placed on the role of Li occupancy in the voids of the cubic close\u2010packed (ccp) P atom arrangement and its impact on the ionic conductivity, in comparison to the known compounds Li\n                    <jats:sub>7+5<\/jats:sub>\n                    <jats:italic>\n                      <jats:sub>x<\/jats:sub>\n                    <\/jats:italic>\n                    Ta\n                    <jats:italic>\n                      <jats:sub>x<\/jats:sub>\n                    <\/jats:italic>\n                    P\n                    <jats:sub>4<\/jats:sub>\n                    and Li\n                    <jats:sub>8\u2212<\/jats:sub>\n                    <jats:italic>\n                      <jats:sub>x<\/jats:sub>\n                    <\/jats:italic>\n                    Ti\n                    <jats:sub>1\u2212<\/jats:sub>\n                    <jats:italic>\n                      <jats:sub>x<\/jats:sub>\n                    <\/jats:italic>\n                    Ta\n                    <jats:italic>\n                      <jats:sub>x<\/jats:sub>\n                    <\/jats:italic>\n                    P\n                    <jats:sub>4<\/jats:sub>\n                    and traced back to the difference in crystal symmetry. Possible diffusion pathways of the Li\n                    <jats:sup>+<\/jats:sup>\n                    ions were approached by BVSE calculations.\n                  <\/jats:p>","DOI":"10.1002\/chem.202503124","type":"journal-article","created":{"date-parts":[[2026,1,22]],"date-time":"2026-01-22T13:02:16Z","timestamp":1769086936000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Structural Aspects of Lithium\u2010Ion Conduction in the Phosphidotitanate Li\n                    <sub>8<\/sub>\n                    TiP\n                    <sub>4<\/sub>\n                    and Its Comparison With Li\n                    <sub>7+5<\/sub>\n                    <i>\n                      <sub>x<\/sub>\n                    <\/i>\n                    Ta\n                    <sub>1\u2212<\/sub>\n                    <i>\n                      <sub>x<\/sub>\n                    <\/i>\n                    P\n                    <sub>4<\/sub>\n                    and Li\n                    <sub>8\u2212<\/sub>\n                    <i>\n                      <sub>x<\/sub>\n                    <\/i>\n                    Ti\n                    <sub>1\u2212<\/sub>\n                    <i>\n                      <sub>x<\/sub>\n                    <\/i>\n                    Ta\n                    <i>\n                      <sub>x<\/sub>\n                    <\/i>\n                    P\n                    <sub>4<\/sub>"],"prefix":"10.1002","volume":"32","author":[{"given":"David","family":"M\u00fcller","sequence":"first","affiliation":[{"name":"TUM School of Natural Sciences Chair of Inorganic Chemistry With Focus on New Materials Technical University of Munich  Garching Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7529-3376","authenticated-orcid":false,"given":"Tobias","family":"Kutsch","sequence":"additional","affiliation":[{"name":"TUM School of 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