Materials Data on Li6Ti9O20 by Materials Project

Li6Ti9O20 is Spinel-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO6 octahedra and corners with ten TiO6 octahedra. The corner-sharing octahedra tilt angles range from 53–64°. There are a spread of Li–O bond distances ranging from 1.97–2.06 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with twelve TiO6 octahedra. The corner-sharing octahedra tilt angles range from 57–61°. There are two shorter (2.01 Å) and two longer (2.03 Å) Li–O bond lengths. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share a cornercorner with one LiO6 octahedra and corners with eleven TiO6 octahedra. The corner-sharing octahedra tilt angles range from 56–65°. There are a spread of Li–O bond distances ranging from 1.98–2.08 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent LiO6 octahedra and corners with nine TiO6 octahedra. The corner-sharing octahedra tilt angles range from 55–64°. There are a spread of Li–O bond distances ranging from 1.99–2.04 Å. In the fifth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with twelve TiO6 octahedra. The corner-sharing octahedra tilt angles range from 56–60°. There are a spread of Li–O bond distances ranging from 2.00–2.03 Å. In the sixth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six TiO6 octahedra. There are a spread of Li–O bond distances ranging from 2.11–2.14 Å. In the seventh Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent LiO6 octahedra and corners with nine TiO6 octahedra. The corner-sharing octahedra tilt angles range from 55–64°. There are three shorter (2.00 Å) and one longer (2.03 Å) Li–O bond lengths. In the eighth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with twelve TiO6 octahedra. The corner-sharing octahedra tilt angles range from 56–60°. There are one shorter (2.01 Å) and three longer (2.02 Å) Li–O bond lengths. In the ninth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO6 octahedra and corners with ten TiO6 octahedra. The corner-sharing octahedra tilt angles range from 53–64°. There are a spread of Li–O bond distances ranging from 1.99–2.06 Å. In the tenth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with twelve TiO6 octahedra. The corner-sharing octahedra tilt angles range from 57–62°. There are a spread of Li–O bond distances ranging from 2.00–2.04 Å. In the eleventh Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share a cornercorner with one LiO6 octahedra and corners with eleven TiO6 octahedra. The corner-sharing octahedra tilt angles range from 57–65°. There are a spread of Li–O bond distances ranging from 1.98–2.07 Å. In the twelfth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six TiO6 octahedra. There are a spread of Li–O bond distances ranging from 2.09–2.14 Å. There are eighteen inequivalent Ti+3.78+ sites. In the first Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.98–2.04 Å. In the second Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, and edges with five TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.85–2.14 Å. In the third Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.97–2.04 Å. In the fourth Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.99–2.02 Å. In the fifth Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, and edges with five TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.91–2.09 Å. In the sixth Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, and edges with five TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.91–2.08 Å. In the seventh Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, and edges with five TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.92–2.06 Å. In the eighth Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.96–2.04 Å. In the ninth Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.96–2.04 Å. In the tenth Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, and edges with five TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.91–2.08 Å. In the eleventh Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, and edges with five TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.91–2.08 Å. In the twelfth Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, and edges with five TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.91–2.07 Å. In the thirteenth Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.89–2.05 Å. In the fourteenth Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.97–2.03 Å. In the fifteenth Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.98–2.03 Å. In the sixteenth Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.99–2.03 Å. In the seventeenth Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, and edges with five TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.86–2.16 Å. In the eighteenth Ti+3.78+ site, Ti+3.78+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.89–2.04 Å. There are forty inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Ti+3.78+ atoms. In the second O2- site, O2- is bonded to one Li1+ and three Ti+3.78+ atoms to form a mixture of distorted edge and corner-sharing OLiTi3 tetrahedra. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Ti+3.78+ atoms. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Ti+3.78+ atoms. In the fifth O2- site, O2- is bonded to one Li1+ and three Ti+3.78+ atoms to form a mixture of distorted edge and corner-sharing OLiTi3 trigonal pyramids. In the sixth O2- site, O2- is bonded to one Li1+ and three Ti+3.78+ atoms to form a mixture of distorted edge and corner-sharing OLiTi3 trigonal pyramids. In the seventh O2- site, O2- is bonded to one Li1+ and three Ti+3.78+ atoms to form a mixture of distorted edge and corner-sharing OLiTi3 trigonal pyramids. In the eighth O2- site, O2- is bonded to one Li1+ and three Ti+3.78+ atoms to form a mixture of distorted edge and corner-sharing OLiTi3 trigonal pyramids. In the ninth O2- site, O2- is bonded to one Li1+ and three Ti+3.78+ atoms to form a mixture of distorted edge and corner-sharing OLiTi3 trigonal pyramids. In the tenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Li1+ and two Ti+3.78+ atoms. In the eleventh O2- site, O2- is bonded to one Li1+ and three Ti+3.78+ atoms to form a mixture of distorted edge and corner-sharing OLiTi3 trigonal pyramids. In the twelfth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Ti+3.78+ atoms. In the thirteenth O2- site, O2- is bonded to one Li1+ and three Ti+3.78+ atoms to form a mixture of distorted edge and corner-sharing OLiTi3 trigonal pyramids. In the fourteenth O2- site, O2- is bonded to one Li1+ and three Ti+3.78+ atoms to form distorted edge-sharing OLiTi3 tetrahedra. In the fifteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Li1+ and two Ti+3.78+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Li1+ and two Ti+3.78+ atoms. In the seventeenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Li1+ and two Ti+3.78+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Li1+ and two Ti+3.78+ atoms. In the nineteenth O2- site, O2- is bonded to one Li1+ and three Ti+3.78+ atoms to form a mixture of distorted edge and corner-sharing OLiTi3 trigonal pyramids. In the twentieth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Li1+ and two Ti+3.78+ atoms. In the twenty-first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Ti+3.78+ atoms. In the twenty-second O2- site, O2- is bonded to one Li1+ and three Ti+3.78+ atoms to form distorted edge-sharing OLiTi3 tetrahedra. In the twenty-third O2- site, O2- is bonded to one Li1+ and three Ti+3.78+ atoms to form a mixture of distorted edge and corner-sharing OLiTi3 trigonal pyramids. In the twenty-fourth O2- site, O2- is bonded to one Li1+ and three Ti+3.78+ atoms to form a mixture of distorted edge and corner-sharing OLiTi3 trigonal pyramids. In the twenty-fifth O2- site, O2- is bonded to one Li1+ and three Ti+3.78+ atoms to form a mixture of distorted edge and corner-sharing OLiTi3 trigonal pyramids. In the twenty-sixth O2- site, O2- is bonded to one Li1+ and three Ti+3.78+ atoms to form a mixture of distorted edge and corner-sharing OLiTi3 tetrahedra. In the twenty-seventh O2- site, O2- is bonded in a distorted rectangular see-saw-l

Li₆Ti₉O₂₀ 为类尖晶石结构（Spinel-like structured），结晶于三斜晶系P1空间群（triclinic P1 space group），其结构为三维骨架结构。体系中存在12个不等价的Li⁺位点。在第一个Li⁺位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体（LiO4 tetrahedra），该四面体与2个等价的LiO₆八面体（LiO6 octahedra）以及10个TiO₆八面体（TiO6 octahedra）通过共角相连。共角八面体的倾斜角范围为53°~64°，Li–O键长分布于1.97~2.06 Å之间。在第二个Li⁺位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体，该四面体与12个TiO₆八面体通过共角相连。共角八面体的倾斜角范围为57°~61°，存在2个较短的Li–O键长（2.01 Å）与2个较长的Li–O键长（2.03 Å）。在第三个Li⁺位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体，该四面体与1个LiO₆八面体以及11个TiO₆八面体通过共角相连。共角八面体的倾斜角范围为56°~65°，Li–O键长分布于1.98~2.08 Å之间。在第四个Li⁺位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体，该四面体与3个等价的LiO₆八面体以及9个TiO₆八面体通过共角相连。共角八面体的倾斜角范围为55°~64°，Li–O键长分布于1.99~2.04 Å之间。在第五个Li⁺位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体，该四面体与12个TiO₆八面体通过共角相连。共角八面体的倾斜角范围为56°~60°，Li–O键长分布于2.00~2.03 Å之间。在第六个Li⁺位点中，Li⁺与6个O²⁻原子配位，形成LiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与6个TiO₆八面体通过共棱相连。Li–O键长分布于2.11~2.14 Å之间。在第七个Li⁺位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体，该四面体与3个等价的LiO₆八面体以及9个TiO₆八面体通过共角相连。共角八面体的倾斜角范围为55°~64°，存在3个较短的Li–O键长（2.00 Å）与1个较长的Li–O键长（2.03 Å）。在第八个Li⁺位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体，该四面体与12个TiO₆八面体通过共角相连。共角八面体的倾斜角范围为56°~60°，存在1个较短的Li–O键长（2.01 Å）与3个较长的Li–O键长（2.02 Å）。在第九个Li⁺位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体，该四面体与2个等价的LiO₆八面体以及10个TiO₆八面体通过共角相连。共角八面体的倾斜角范围为53°~64°，Li–O键长分布于1.99~2.06 Å之间。在第十个Li⁺位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体，该四面体与12个TiO₆八面体通过共角相连。共角八面体的倾斜角范围为57°~62°，Li–O键长分布于2.00~2.04 Å之间。在第十一个Li⁺位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体，该四面体与1个LiO₆八面体以及11个TiO₆八面体通过共角相连。共角八面体的倾斜角范围为57°~65°，Li–O键长分布于1.98~2.07 Å之间。在第十二个Li⁺位点中，Li⁺与6个O²⁻原子配位，形成LiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与6个TiO₆八面体通过共棱相连。Li–O键长分布于2.09~2.14 Å之间。体系中存在18个不等价的平均氧化态为+3.78的Tiⁿ⁺（Ti+3.78+）位点。在第一个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与6个TiO₆八面体通过共棱相连。Ti–O键长分布于1.98~2.04 Å之间。在第二个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与1个LiO₆八面体以及5个TiO₆八面体通过共棱相连。Ti–O键长分布于1.85~2.14 Å之间。在第三个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与6个TiO₆八面体通过共棱相连。Ti–O键长分布于1.97~2.04 Å之间。在第四个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与6个TiO₆八面体通过共棱相连。Ti–O键长分布于1.99~2.02 Å之间。在第五个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与1个LiO₆八面体以及5个TiO₆八面体通过共棱相连。Ti–O键长分布于1.91~2.09 Å之间。在第六个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与1个LiO₆八面体以及5个TiO₆八面体通过共棱相连。Ti–O键长分布于1.91~2.08 Å之间。在第七个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与1个LiO₆八面体以及5个TiO₆八面体通过共棱相连。Ti–O键长分布于1.92~2.06 Å之间。在第八个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与6个TiO₆八面体通过共棱相连。Ti–O键长分布于1.96~2.04 Å之间。在第九个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与6个TiO₆八面体通过共棱相连。Ti–O键长分布于1.96~2.04 Å之间。在第十个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与1个LiO₆八面体以及5个TiO₆八面体通过共棱相连。Ti–O键长分布于1.91~2.08 Å之间。在第十一个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与1个LiO₆八面体以及5个TiO₆八面体通过共棱相连。Ti–O键长分布于1.91~2.08 Å之间。在第十二个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与1个LiO₆八面体以及5个TiO₆八面体通过共棱相连。Ti–O键长分布于1.91~2.07 Å之间。在第十三个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与2个等价的LiO₆八面体以及4个TiO₆八面体通过共棱相连。Ti–O键长分布于1.89~2.05 Å之间。在第十四个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与6个TiO₆八面体通过共棱相连。Ti–O键长分布于1.97~2.03 Å之间。在第十五个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与6个TiO₆八面体通过共棱相连。Ti–O键长分布于1.98~2.03 Å之间。在第十六个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与6个TiO₆八面体通过共棱相连。Ti–O键长分布于1.99~2.03 Å之间。在第十七个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与1个LiO₆八面体以及5个TiO₆八面体通过共棱相连。Ti–O键长分布于1.86~2.16 Å之间。在第十八个Tiⁿ⁺位点中，Tiⁿ⁺与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过共角相连，与2个等价的LiO₆八面体以及4个TiO₆八面体通过共棱相连。Ti–O键长分布于1.89~2.04 Å之间。体系中存在40个不等价的O²⁻位点。在第一个O²⁻位点中，O²⁻以畸变的矩形跷跷板状配位几何与1个Li⁺以及3个Tiⁿ⁺原子配位。在第二个O²⁻位点中，O²⁻与1个Li⁺以及3个Tiⁿ⁺原子配位，形成兼具畸变共棱与共角连接的OLiTi₃四面体。在第三个O²⁻位点中，O²⁻以畸变的矩形跷跷板状配位几何与1个Li⁺以及3个Tiⁿ⁺原子配位。在第四个O²⁻位点中，O²⁻以畸变的矩形跷跷板状配位几何与1个Li⁺以及3个Tiⁿ⁺原子配位。在第五个O²⁻位点中，O²⁻与1个Li⁺以及3个Tiⁿ⁺原子配位，形成兼具畸变共棱与共角连接的OLiTi₃三角锥。在第六个O²⁻位点中，O²⁻与1个Li⁺以及3个Tiⁿ⁺原子配位，形成兼具畸变共棱与共角连接的OLiTi₃三角锥。在第七个O²⁻位点中，O²⁻与1个Li⁺以及3个Tiⁿ⁺原子配位，形成兼具畸变共棱与共角连接的OLiTi₃三角锥。在第八个O²⁻位点中，O²⁻与1个Li⁺以及3个Tiⁿ⁺原子配位，形成兼具畸变共棱与共角连接的OLiTi₃三角锥。在第九个O²⁻位点中，O²⁻与1个Li⁺以及3个Tiⁿ⁺原子配位，形成兼具畸变共棱与共角连接的OLiTi₃三角锥。在第十个O²⁻位点中，O²⁻以畸变的矩形跷跷板状配位几何与2个Li⁺以及2个Tiⁿ⁺原子配位。在第十一个O²⁻位点中，O²⁻与1个Li⁺以及3个Tiⁿ⁺原子配位，形成兼具畸变共棱与共角连接的OLiTi₃三角锥。在第十二个O²⁻位点中，O²⁻以畸变的矩形跷跷板状配位几何与1个Li⁺以及3个Tiⁿ⁺原子配位。在第十三个O²⁻位点中，O²⁻与1个Li⁺以及3个Tiⁿ⁺原子配位，形成兼具畸变共棱与共角连接的OLiTi₃三角锥。在第十四个O²⁻位点中，O²⁻与1个Li⁺以及3个Tiⁿ⁺原子配位，形成畸变共棱连接的OLiTi₃四面体。在第十五个O²⁻位点中，O²⁻以畸变的矩形跷跷板状配位几何与2个Li⁺以及2个Tiⁿ⁺原子配位。在第十六个O²⁻位点中，O²⁻以畸变的矩形跷跷板状配位几何与2个Li⁺以及2个Tiⁿ⁺原子配位。在第十七个O²⁻位点中，O²⁻以畸变的矩形跷跷板状配位几何与2个Li⁺以及2个Tiⁿ⁺原子配位。在第十八个O²⁻位点中，O²⁻以畸变的矩形跷跷板状配位几何与2个Li⁺以及2个Tiⁿ⁺原子配位。在第十九个O²⁻位点中，O²⁻与1个Li⁺以及3个Tiⁿ⁺原子配位，形成兼具畸变共棱与共角连接的OLiTi₃三角锥。在第二十个O²⁻位点中，O²⁻以畸变的矩形跷跷板状配位几何与2个Li⁺以及2个Tiⁿ⁺原子配位。在第二十一个O²⁻位点中，O²⁻以畸变的矩形跷跷板状配位几何与1个Li⁺以及3个Tiⁿ⁺原子配位。在第二十二个O²⁻位点中，O²⁻与1个Li⁺以及3个Tiⁿ⁺原子配位，形成畸变共棱连接的OLiTi₃四面体。在第二十三个O²⁻位点中，O²⁻与1个Li⁺以及3个Tiⁿ⁺原子配位，形成兼具畸变共棱与共角连接的OLiTi₃三角锥。在第二十四个O²⁻位点中，O²⁻与1个Li⁺以及3个Tiⁿ⁺原子配位，形成兼具畸变共棱与共角连接的OLiTi₃三角锥。在第二十五个O²⁻位点中，O²⁻与1个Li⁺以及3个Tiⁿ⁺原子配位，形成兼具畸变共棱与共角连接的OLiTi₃三角锥。在第二十六个O²⁻位点中，O²⁻与1个Li⁺以及3个Tiⁿ⁺原子配位，形成兼具畸变共棱与共角连接的OLiTi₃四面体。在第二十七个O²⁻位点中，O²⁻以畸变的矩形跷跷板状配位几何与