Materials Data on Li2TiCo3O8 by Materials Project

Li2TiCo3O8 is Spinel-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three TiO6 octahedra and corners with nine CoO6 octahedra. The corner-sharing octahedra tilt angles range from 55–65°. There are a spread of Li–O bond distances ranging from 1.97–2.01 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three TiO6 octahedra and corners with nine CoO6 octahedra. The corner-sharing octahedra tilt angles range from 54–64°. There are a spread of Li–O bond distances ranging from 1.95–2.01 Å. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three TiO6 octahedra and corners with nine CoO6 octahedra. The corner-sharing octahedra tilt angles range from 52–67°. There are a spread of Li–O bond distances ranging from 1.96–2.02 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three TiO6 octahedra and corners with nine CoO6 octahedra. The corner-sharing octahedra tilt angles range from 53–67°. There are a spread of Li–O bond distances ranging from 1.96–2.02 Å. In the fifth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three TiO6 octahedra and corners with nine CoO6 octahedra. The corner-sharing octahedra tilt angles range from 52–67°. There are a spread of Li–O bond distances ranging from 1.94–2.03 Å. In the sixth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three TiO6 octahedra and corners with nine CoO6 octahedra. The corner-sharing octahedra tilt angles range from 54–66°. There are a spread of Li–O bond distances ranging from 1.98–2.03 Å. In the seventh Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three TiO6 octahedra and corners with nine CoO6 octahedra. The corner-sharing octahedra tilt angles range from 55–65°. There are a spread of Li–O bond distances ranging from 1.97–2.02 Å. In the eighth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three TiO6 octahedra and corners with nine CoO6 octahedra. The corner-sharing octahedra tilt angles range from 54–67°. There are a spread of Li–O bond distances ranging from 1.98–2.01 Å. There are four inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six CoO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.92–2.06 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six CoO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.91–2.14 Å. In the third Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six CoO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.90–2.14 Å. In the fourth Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six CoO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.94–2.03 Å. There are twelve inequivalent Co+3.33+ sites. In the first Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO4 tetrahedra, edges with two TiO6 octahedra, and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.95–2.09 Å. In the second Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO4 tetrahedra, edges with two TiO6 octahedra, and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.93–2.11 Å. In the third Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO4 tetrahedra, edges with two TiO6 octahedra, and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–1.92 Å. In the fourth Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO4 tetrahedra, edges with two TiO6 octahedra, and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.83–2.12 Å. In the fifth Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO4 tetrahedra, edges with two TiO6 octahedra, and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–2.12 Å. In the sixth Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO4 tetrahedra, edges with two TiO6 octahedra, and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.93–2.13 Å. In the seventh Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO4 tetrahedra, edges with two TiO6 octahedra, and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.96–2.10 Å. In the eighth Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO4 tetrahedra, edges with two TiO6 octahedra, and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.91–2.12 Å. In the ninth Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO4 tetrahedra, edges with two TiO6 octahedra, and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.81–2.05 Å. In the tenth Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO4 tetrahedra, edges with two TiO6 octahedra, and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.87–1.95 Å. In the eleventh Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO4 tetrahedra, edges with two TiO6 octahedra, and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.96–2.08 Å. In the twelfth Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO4 tetrahedra, edges with two TiO6 octahedra, and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.92–2.11 Å. There are thirty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Co+3.33+ atoms. In the fourth O2- site, O2- is bonded to one Li1+, one Ti4+, and two Co+3.33+ atoms to form distorted OLiTiCo2 trigonal pyramids that share corners with two OLiTiCo2 trigonal pyramids and an edgeedge with one OLiCo3 tetrahedra. In the fifth O2- site, O2- is bonded to one Li1+, one Ti4+, and two Co+3.33+ atoms to form distorted OLiTiCo2 trigonal pyramids that share corners with two OLiCo3 tetrahedra and corners with three OLiTiCo2 trigonal pyramids. In the sixth O2- site, O2- is bonded to one Li1+ and three Co+3.33+ atoms to form a mixture of distorted edge and corner-sharing OLiCo3 tetrahedra. In the seventh O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the eighth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the ninth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the tenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the eleventh O2- site, O2- is bonded to one Li1+ and three Co+3.33+ atoms to form distorted corner-sharing OLiCo3 tetrahedra. In the twelfth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the thirteenth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Co+3.33+ atoms. In the fifteenth O2- site, O2- is bonded to one Li1+, one Ti4+, and two Co+3.33+ atoms to form distorted OLiTiCo2 trigonal pyramids that share corners with two OLiCo3 tetrahedra and corners with two OLiTiCo2 trigonal pyramids. In the sixteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the seventeenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the nineteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Co+3.33+ atoms. In the twentieth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the twenty-first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the twenty-second O2- site, O2- is bonded to one Li1+ and three Co+3.33+ atoms to form a mixture of distorted edge and corner-sharing OLiCo3 tetrahedra. In the twenty-third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the twenty-fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the twenty-fifth O2- site, O2- is bonded to one Li1+, one Ti4+, and two Co+3.33+ atoms to form distorted OLiTiCo2 trigonal pyramids that share a cornercorner with one OLiCo3 tetrahedra, corners with two OLiTiCo2 trigonal pyramids, and an edgeedge with one OLiCo3 tetrahedra. In the twenty-sixth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the twenty-seventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Co+3.33+ atoms. In the twenty-eighth O2- site, O2- is bonded to one Li1+, one Ti4+, and two Co+3.33+ atoms to form distorted OLiTiCo2 trigonal pyramids that share a cornercorner with one OLiCo3 tetrahedra and a cornercorner with one OLiTiCo2 trigonal pyramid. In the twenty-ninth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the thirtieth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Co+3.33+ atoms. In the thirty-first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms. In the thirty-second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one Ti4+, and two Co+3.33+ atoms.

Li₂TiCo₃O₈为尖晶石衍生（Spinel-derived）结构，结晶于三斜晶系P1空间群（triclinic P1 space group），整体为三维框架结构。存在8个不等价Li⁺配位位点。在第一个Li⁺配位位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体（LiO4 tetrahedra），该四面体与3个TiO₆八面体（TiO6 octahedra）及9个CoO₆八面体（CoO6 octahedra）通过顶角相连。共享顶角的八面体倾斜角范围为55°~65°，Li-O键长分布区间为1.97~2.01 Å。在第二个Li⁺配位位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体，该四面体与3个TiO₆八面体及9个CoO₆八面体通过顶角相连。共享顶角的八面体倾斜角范围为54°~64°，Li-O键长分布区间为1.95~2.01 Å。在第三个Li⁺配位位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体，该四面体与3个TiO₆八面体及9个CoO₆八面体通过顶角相连。共享顶角的八面体倾斜角范围为52°~67°，Li-O键长分布区间为1.96~2.02 Å。在第四个Li⁺配位位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体，该四面体与3个TiO₆八面体及9个CoO₆八面体通过顶角相连。共享顶角的八面体倾斜角范围为53°~67°，Li-O键长分布区间为1.96~2.02 Å。在第五个Li⁺配位位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体，该四面体与3个TiO₆八面体及9个CoO₆八面体通过顶角相连。共享顶角的八面体倾斜角范围为52°~67°，Li-O键长分布区间为1.94~2.03 Å。在第六个Li⁺配位位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体，该四面体与3个TiO₆八面体及9个CoO₆八面体通过顶角相连。共享顶角的八面体倾斜角范围为54°~66°，Li-O键长分布区间为1.98~2.03 Å。在第七个Li⁺配位位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体，该四面体与3个TiO₆八面体及9个CoO₆八面体通过顶角相连。共享顶角的八面体倾斜角范围为55°~65°，Li-O键长分布区间为1.97~2.02 Å。在第八个Li⁺配位位点中，Li⁺与4个O²⁻原子配位，形成LiO₄四面体，该四面体与3个TiO₆八面体及9个CoO₆八面体通过顶角相连。共享顶角的八面体倾斜角范围为54°~67°，Li-O键长分布区间为1.98~2.01 Å。存在4个不等价Ti⁴+配位位点。在第一个Ti⁴+配位位点中，Ti⁴+与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，并与6个CoO₆八面体通过棱相连。Ti-O键长分布区间为1.92~2.06 Å。在第二个Ti⁴+配位位点中，Ti⁴+与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，并与6个CoO₆八面体通过棱相连。Ti-O键长分布区间为1.91~2.14 Å。在第三个Ti⁴+配位位点中，Ti⁴+与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，并与6个CoO₆八面体通过棱相连。Ti-O键长分布区间为1.90~2.14 Å。在第四个Ti⁴+配位位点中，Ti⁴+与6个O²⁻原子配位，形成TiO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，并与6个CoO₆八面体通过棱相连。Ti-O键长分布区间为1.94~2.03 Å。存在12个不等价Co^(3.33+)配位位点。在第一个Co^(3.33+)配位位点中，Co^(3.33+)与6个O²⁻原子配位，形成CoO₆八面体，该八面体与6个LiO₄四面体通过顶角相连、与2个TiO₆八面体及4个CoO₆八面体通过棱相连。Co-O键长分布区间为1.95~2.09 Å。在第二个Co^(3.33+)配位位点中，Co^(3.33+)与6个O²⁻原子配位，形成CoO₆八面体，该八面体与6个LiO₄四面体通过顶角相连、与2个TiO₆八面体及4个CoO₆八面体通过棱相连。Co-O键长分布区间为1.93~2.11 Å。在第三个Co^(3.33+)配位位点中，Co^(3.33+)与6个O²⁻原子配位，形成CoO₆八面体，该八面体与6个LiO₄四面体通过顶角相连、与2个TiO₆八面体及4个CoO₆八面体通过棱相连。Co-O键长分布区间为1.88~1.92 Å。在第四个Co^(3.33+)配位位点中，Co^(3.33+)与6个O²⁻原子配位，形成CoO₆八面体，该八面体与6个LiO₄四面体通过顶角相连、与2个TiO₆八面体及4个CoO₆八面体通过棱相连。Co-O键长分布区间为1.83~2.12 Å。在第五个Co^(3.33+)配位位点中，Co^(3.33+)与6个O²⁻原子配位，形成CoO₆八面体，该八面体与6个LiO₄四面体通过顶角相连、与2个TiO₆八面体及4个CoO₆八面体通过棱相连。Co-O键长分布区间为1.88~2.12 Å。在第六个Co^(3.33+)配位位点中，Co^(3.33+)与6个O²⁻原子配位，形成CoO₆八面体，该八面体与6个LiO₄四面体通过顶角相连、与2个TiO₆八面体及4个CoO₆八面体通过棱相连。Co-O键长分布区间为1.93~2.13 Å。在第七个Co^(3.33+)配位位点中，Co^(3.33+)与6个O²⁻原子配位，形成CoO₆八面体，该八面体与6个LiO₄四面体通过顶角相连、与2个TiO₆八面体及4个CoO₆八面体通过棱相连。Co-O键长分布区间为1.96~2.10 Å。在第八个Co^(3.33+)配位位点中，Co^(3.33+)与6个O²⁻原子配位，形成CoO₆八面体，该八面体与6个LiO₄四面体通过顶角相连、与2个TiO₆八面体及4个CoO₆八面体通过棱相连。Co-O键长分布区间为1.91~2.12 Å。在第九个Co^(3.33+)配位位点中，Co^(3.33+)与6个O²⁻原子配位，形成CoO₆八面体，该八面体与6个LiO₄四面体通过顶角相连、与2个TiO₆八面体及4个CoO₆八面体通过棱相连。Co-O键长分布区间为1.81~2.05 Å。在第十个Co^(3.33+)配位位点中，Co^(3.33+)与6个O²⁻原子配位，形成CoO₆八面体，该八面体与6个LiO₄四面体通过顶角相连、与2个TiO₆八面体及4个CoO₆八面体通过棱相连。Co-O键长分布区间为1.87~1.95 Å。在第十一个Co^(3.33+)配位位点中，Co^(3.33+)与6个O²⁻原子配位，形成CoO₆八面体，该八面体与6个LiO₄四面体通过顶角相连、与2个TiO₆八面体及4个CoO₆八面体通过棱相连。Co-O键长分布区间为1.96~2.08 Å。在第十二个Co^(3.33+)配位位点中，Co^(3.33+)与6个O²⁻原子配位，形成CoO₆八面体，该八面体与6个LiO₄四面体通过顶角相连、与2个TiO₆八面体及4个CoO₆八面体通过棱相连。Co-O键长分布区间为1.92~2.11 Å。存在32个不等价O²⁻配位位点。在第一个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第二个O²⁻配位位点中，O²⁻采取矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第三个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺及3个Co^(3.33+)原子配位。在第四个O²⁻配位位点中，O²⁻与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位，形成畸变的OLiTiCo₂三角锥，该三角锥与2个OLiTiCo₂三角锥通过顶角相连，并与1个OLiCo₃四面体共享一条边。在第五个O²⁻配位位点中，O²⁻与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位，形成畸变的OLiTiCo₂三角锥，该三角锥与2个OLiCo₃四面体通过顶角相连，并与3个OLiTiCo₂三角锥通过顶角相连。在第六个O²⁻配位位点中，O²⁻与1个Li⁺及3个Co^(3.33+)原子配位，形成兼具畸变边共享与顶角共享的OLiCo₃四面体。在第七个O²⁻配位位点中，O²⁻采取矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第八个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第九个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第十个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第十一个O²⁻配位位点中，O²⁻与1个Li⁺及3个Co^(3.33+)原子配位，形成畸变的顶角共享型OLiCo₃四面体。在第十二个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第十三个O²⁻配位位点中，O²⁻采取矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第十四个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺及3个Co^(3.33+)原子配位。在第十五个O²⁻配位位点中，O²⁻与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位，形成畸变的OLiTiCo₂三角锥，该三角锥与2个OLiCo₃四面体通过顶角相连，并与2个OLiTiCo₂三角锥通过顶角相连。在第十六个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第十七个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第十八个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第十九个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺及3个Co^(3.33+)原子配位。在第二十个O²⁻配位位点中，O²⁻采取矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第二十一个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第二十二个O²⁻配位位点中，O²⁻与1个Li⁺及3个Co^(3.33+)原子配位，形成兼具畸变边共享与顶角共享的OLiCo₃四面体。在第二十三个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第二十四个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第二十五个O²⁻配位位点中，O²⁻与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位，形成畸变的OLiTiCo₂三角锥，该三角锥与1个OLiCo₃四面体共享一个顶角、与2个OLiTiCo₂三角锥通过顶角相连，并与1个OLiCo₃四面体共享一条边。在第二十六个O²⁻配位位点中，O²⁻采取矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第二十七个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺及3个Co^(3.33+)原子配位。在第二十八个O²⁻配位位点中，O²⁻与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位，形成畸变的OLiTiCo₂三角锥，该三角锥与1个OLiCo₃四面体共享一个顶角，并与1个OLiTiCo₂三角锥共享一个顶角。在第二十九个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第三十个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺及3个Co^(3.33+)原子配位。在第三十一个O²⁻配位位点中，O²⁻采取畸变的矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。在第三十二个O²⁻配位位点中，O²⁻采取矩形跷跷板型配位几何，与1个Li⁺、1个Ti⁴+及2个Co^(3.33+)原子配位。