Materials Data on Li2Fe3CoO8 by Materials Project

Li2Fe3CoO8 is Spinel-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Li sites. In the first Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with three LiO4 tetrahedra, corners with three CoO4 tetrahedra, and edges with six FeO6 octahedra. There are a spread of Li–O bond distances ranging from 2.08–2.14 Å. In the second Li site, Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three LiO6 octahedra and corners with nine FeO6 octahedra. The corner-sharing octahedra tilt angles range from 54–65°. There are a spread of Li–O bond distances ranging from 1.95–2.00 Å. In the third Li site, Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three LiO6 octahedra and corners with nine FeO6 octahedra. The corner-sharing octahedra tilt angles range from 54–66°. There are a spread of Li–O bond distances ranging from 1.95–1.98 Å. In the fourth Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with three LiO4 tetrahedra, corners with three CoO4 tetrahedra, and edges with six FeO6 octahedra. There are a spread of Li–O bond distances ranging from 2.07–2.14 Å. In the fifth Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with three LiO4 tetrahedra, corners with three CoO4 tetrahedra, and edges with six FeO6 octahedra. There are a spread of Li–O bond distances ranging from 2.08–2.14 Å. In the sixth Li site, Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three LiO6 octahedra and corners with nine FeO6 octahedra. The corner-sharing octahedra tilt angles range from 53–66°. There are a spread of Li–O bond distances ranging from 1.97–2.00 Å. In the seventh Li site, Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three LiO6 octahedra and corners with nine FeO6 octahedra. The corner-sharing octahedra tilt angles range from 54–66°. There are a spread of Li–O bond distances ranging from 1.96–1.98 Å. In the eighth Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with three LiO4 tetrahedra, corners with three CoO4 tetrahedra, and edges with six FeO6 octahedra. There are a spread of Li–O bond distances ranging from 2.07–2.12 Å. There are twelve inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with three LiO4 tetrahedra, corners with three CoO4 tetrahedra, edges with two LiO6 octahedra, and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.87–1.98 Å. In the second Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with three LiO4 tetrahedra, corners with three CoO4 tetrahedra, edges with two LiO6 octahedra, and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.88–1.98 Å. In the third Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with three LiO4 tetrahedra, corners with three CoO4 tetrahedra, edges with two LiO6 octahedra, and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.92–2.04 Å. In the fourth Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with three LiO4 tetrahedra, corners with three CoO4 tetrahedra, edges with two LiO6 octahedra, and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.89–2.00 Å. In the fifth Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with three LiO4 tetrahedra, corners with three CoO4 tetrahedra, edges with two LiO6 octahedra, and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.87–2.02 Å. In the sixth Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with three LiO4 tetrahedra, corners with three CoO4 tetrahedra, edges with two LiO6 octahedra, and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.91–2.03 Å. In the seventh Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with three LiO4 tetrahedra, corners with three CoO4 tetrahedra, edges with two LiO6 octahedra, and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.89–1.98 Å. In the eighth Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with three LiO4 tetrahedra, corners with three CoO4 tetrahedra, edges with two LiO6 octahedra, and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.89–1.99 Å. In the ninth Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with three LiO4 tetrahedra, corners with three CoO4 tetrahedra, edges with two LiO6 octahedra, and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.88–1.99 Å. In the tenth Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with three LiO4 tetrahedra, corners with three CoO4 tetrahedra, edges with two LiO6 octahedra, and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.90–1.98 Å. In the eleventh Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with three LiO4 tetrahedra, corners with three CoO4 tetrahedra, edges with two LiO6 octahedra, and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.89–1.99 Å. In the twelfth Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with three LiO4 tetrahedra, corners with three CoO4 tetrahedra, edges with two LiO6 octahedra, and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.86–1.97 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to four O atoms to form CoO4 tetrahedra that share corners with three LiO6 octahedra and corners with nine FeO6 octahedra. The corner-sharing octahedra tilt angles range from 55–67°. There is two shorter (1.94 Å) and two longer (1.97 Å) Co–O bond length. In the second Co site, Co is bonded to four O atoms to form CoO4 tetrahedra that share corners with three LiO6 octahedra and corners with nine FeO6 octahedra. The corner-sharing octahedra tilt angles range from 55–66°. There are a spread of Co–O bond distances ranging from 1.94–1.98 Å. In the third Co site, Co is bonded to four O atoms to form CoO4 tetrahedra that share corners with three LiO6 octahedra and corners with nine FeO6 octahedra. The corner-sharing octahedra tilt angles range from 55–65°. There are a spread of Co–O bond distances ranging from 1.93–1.99 Å. In the fourth Co site, Co is bonded to four O atoms to form CoO4 tetrahedra that share corners with three LiO6 octahedra and corners with nine FeO6 octahedra. The corner-sharing octahedra tilt angles range from 54–66°. There is three shorter (1.95 Å) and one longer (1.99 Å) Co–O bond length. There are thirty-two inequivalent O sites. In the first O site, O is bonded in a rectangular see-saw-like geometry to two Li and two Fe atoms. In the second O site, O is bonded in a rectangular see-saw-like geometry to two Li and two Fe atoms. In the third O site, O is bonded to one Li and three Fe atoms to form distorted OLiFe3 trigonal pyramids that share corners with two OFe3Co tetrahedra and corners with four OLiFe2Co trigonal pyramids. In the fourth O site, O is bonded in a rectangular see-saw-like geometry to two Li and two Fe atoms. In the fifth O site, O is bonded in a rectangular see-saw-like geometry to one Li, two Fe, and one Co atom. In the sixth O site, O is bonded to three Fe and one Co atom to form distorted corner-sharing OFe3Co trigonal pyramids. In the seventh O site, O is bonded in a rectangular see-saw-like geometry to one Li, two Fe, and one Co atom. In the eighth O site, O is bonded to one Li, two Fe, and one Co atom to form OLiFe2Co trigonal pyramids that share a cornercorner with one OFe3Co tetrahedra, corners with five OLi2Fe2 trigonal pyramids, and an edgeedge with one OFe3Co tetrahedra. In the ninth O site, O is bonded in a rectangular see-saw-like geometry to one Li, two Fe, and one Co atom. In the tenth O site, O is bonded in a rectangular see-saw-like geometry to one Li, two Fe, and one Co atom. In the eleventh O site, O is bonded to three Fe and one Co atom to form distorted OFe3Co tetrahedra that share corners with five OLi2Fe2 trigonal pyramids and an edgeedge with one OLiFe2Co trigonal pyramid. In the twelfth O site, O is bonded in a rectangular see-saw-like geometry to one Li, two Fe, and one Co atom. In the thirteenth O site, O is bonded in a rectangular see-saw-like geometry to two Li and two Fe atoms. In the fourteenth O site, O is bonded in a rectangular see-saw-like geometry to one Li and three Fe atoms. In the fifteenth O site, O is bonded to two Li and two Fe atoms to form OLi2Fe2 trigonal pyramids that share corners with two OFe3Co tetrahedra, corners with three OLiFe2Co trigonal pyramids, and an edgeedge with one OLiFe3 trigonal pyramid. In the sixteenth O site, O is bonded in a rectangular see-saw-like geometry to two Li and two Fe atoms. In the seventeenth O site, O is bonded in a rectangular see-saw-like geometry to two Li and two Fe atoms. In the eighteenth O site, O is bonded in a rectangular see-saw-like geometry to two Li and two Fe atoms. In the nineteenth O site, O is bonded to one Li and three Fe atoms to form distorted OLiFe3 trigonal pyramids that share corners with three OFe3Co tetrahedra, corners with six OLiFe2Co trigonal pyramids, and an edgeedge with one OLi2Fe2 trigonal pyramid. In the twentieth O site, O is bonded in a rectangular see-saw-like geometry to two Li and two Fe atoms. In the twenty-first O site, O is bonded to one Li, two Fe, and one Co atom to form OLiFe2Co trigonal pyramids that share a cornercorner with one OFe3Co tetrahedra, corners with three OLi2Fe2 trigonal pyramids, an edgeedge with one OFe3Co tetrahedra, and an edgeedge with one OLiFe2Co trigonal pyramid. In the twenty-second O site, O is bonded to three Fe and one Co atom to form distorted OFe3Co tetrahedra that share corners with four OLi2Fe2 trigonal pyramids and edges with two OLiFe2Co trigonal pyramids. In the twenty-third O site, O is bonded to one Li, two Fe, and one Co atom to form distorted OLiFe2Co trigonal pyramids that share a cornercorner with one OFe3Co tetrahedra, corners with two OLiFe3 trigonal pyramids, an edgeedge with one OFe3Co tetrahedra, and edges with two OLiFe2Co trigonal pyramids. In the twenty-fourth O site, O is bonded to one Li, two Fe, and one Co atom to form OLiFe2Co trigonal pyramids that share a cornercorner with one OFe3Co tetrahedra, corners with three OLiFe3 trigonal pyramids, an edgeedge with one OFe3Co tetrahedra, and edges with two OLiFe2Co trigonal pyramids. In the twenty-fifth O site, O is bonded in a rectangular see-saw-like geometry to one Li, two Fe, and one Co atom. In the twenty-sixth O site, O is bonded to one Li, two Fe, and one Co atom to form OLiFe2Co trigonal pyramids that share a cornercorner with one OFe3Co tetrahedra, corners with four OLi2Fe2 trigonal pyramids, an edgeedge with one OFe3Co tetrahedra, and an edgeedge with one OLiFe2Co trigonal pyramid. In the twenty-seventh O site, O is bonded to three Fe and one Co atom to form distorted OFe3Co tetrahedra that share corners with five OLiFe3 trigonal pyramids and edges with three OLiFe2Co trigonal pyramids. In the twenty-eighth O site, O is bonded to one Li, two Fe, and one Co atom to form OLiFe2Co trigonal pyramids that share corners with three OLi2Fe2 trigonal pyramids, an edgeedge with one OFe3Co tetrahedra, and edges with two OLiFe2Co trigonal pyramids. In the twenty-ninth O site, O is bonded to two Li and two Fe atoms to form OLi2Fe2 trigonal pyramids that share corn

Li₂Fe₃CoO₈为尖晶石衍生结构，结晶于三斜晶系P1空间群，其结构为三维框架。该体系存在8个不等价锂（Li）位点。在第一个锂位点中，锂原子与6个氧原子成键，形成LiO₆八面体（octahedra），该八面体与3个LiO₄四面体（tetrahedra）、3个CoO₄四面体共享顶点，同时与6个FeO₆八面体共享棱边。Li–O键长分布范围为2.08~2.14 Å。
在第二个锂位点中，锂原子与4个氧原子成键，形成LiO₄四面体，该四面体与3个LiO₆八面体、9个FeO₆八面体共享顶点。共顶点八面体的倾斜角范围为54°~65°，Li–O键长分布范围为1.95~2.00 Å。
在第三个锂位点中，锂原子与4个氧原子成键，形成LiO₄四面体，该四面体与3个LiO₆八面体、9个FeO₆八面体共享顶点。共顶点八面体的倾斜角范围为54°~66°，Li–O键长分布范围为1.95~1.98 Å。
在第四个锂位点中，锂原子与6个氧原子成键，形成LiO₆八面体，该八面体与3个LiO₄四面体、3个CoO₄四面体共享顶点，同时与6个FeO₆八面体共享棱边。Li–O键长分布范围为2.07~2.14 Å。
在第五个锂位点中，锂原子与6个氧原子成键，形成LiO₆八面体，该八面体与3个LiO₄四面体、3个CoO₄四面体共享顶点，同时与6个FeO₆八面体共享棱边。Li–O键长分布范围为2.08~2.14 Å。
在第六个锂位点中，锂原子与4个氧原子成键，形成LiO₄四面体，该四面体与3个LiO₆八面体、9个FeO₆八面体共享顶点。共顶点八面体的倾斜角范围为53°~66°，Li–O键长分布范围为1.97~2.00 Å。
在第七个锂位点中，锂原子与4个氧原子成键，形成LiO₄四面体，该四面体与3个LiO₆八面体、9个FeO₆八面体共享顶点。共顶点八面体的倾斜角范围为54°~66°，Li–O键长分布范围为1.96~1.98 Å。
在第八个锂位点中，锂原子与6个氧原子成键，形成LiO₆八面体，该八面体与3个LiO₄四面体、3个CoO₄四面体共享顶点，同时与6个FeO₆八面体共享棱边。Li–O键长分布范围为2.07~2.12 Å。
该体系存在12个不等价铁（Fe）位点。在第一个铁位点中，铁原子与6个氧原子成键，形成FeO₆八面体，该八面体与3个LiO₄四面体、3个CoO₄四面体共享顶点，与2个LiO₆八面体、4个FeO₆八面体共享棱边。Fe–O键长分布范围为1.87~1.98 Å。
在第二个铁位点中，铁原子与6个氧原子成键，形成FeO₆八面体，该八面体与3个LiO₄四面体、3个CoO₄四面体共享顶点，与2个LiO₆八面体、4个FeO₆八面体共享棱边。Fe–O键长分布范围为1.88~1.98 Å。
在第三个铁位点中，铁原子与6个氧原子成键，形成FeO₆八面体，该八面体与3个LiO₄四面体、3个CoO₄四面体共享顶点，与2个LiO₆八面体、4个FeO₆八面体共享棱边。Fe–O键长分布范围为1.92~2.04 Å。
在第四个铁位点中，铁原子与6个氧原子成键，形成FeO₆八面体，该八面体与3个LiO₄四面体、3个CoO₄四面体共享顶点，与2个LiO₆八面体、4个FeO₆八面体共享棱边。Fe–O键长分布范围为1.89~2.00 Å。
在第五个铁位点中，铁原子与6个氧原子成键，形成FeO₆八面体，该八面体与3个LiO₄四面体、3个CoO₄四面体共享顶点，与2个LiO₆八面体、4个FeO₆八面体共享棱边。Fe–O键长分布范围为1.87~2.02 Å。
在第六个铁位点中，铁原子与6个氧原子成键，形成FeO₆八面体，该八面体与3个LiO₄四面体、3个CoO₄四面体共享顶点，与2个LiO₆八面体、4个FeO₆八面体共享棱边。Fe–O键长分布范围为1.91~2.03 Å。
在第七个铁位点中，铁原子与6个氧原子成键，形成FeO₆八面体，该八面体与3个LiO₄四面体、3个CoO₄四面体共享顶点，与2个LiO₆八面体、4个FeO₆八面体共享棱边。Fe–O键长分布范围为1.89~1.98 Å。
在第八个铁位点中，铁原子与6个氧原子成键，形成FeO₆八面体，该八面体与3个LiO₄四面体、3个CoO₄四面体共享顶点，与2个LiO₆八面体、4个FeO₆八面体共享棱边。Fe–O键长分布范围为1.89~1.99 Å。
在第九个铁位点中，铁原子与6个氧原子成键，形成FeO₆八面体，该八面体与3个LiO₄四面体、3个CoO₄四面体共享顶点，与2个LiO₆八面体、4个FeO₆八面体共享棱边。Fe–O键长分布范围为1.88~1.99 Å。
在第十个铁位点中，铁原子与6个氧原子成键，形成FeO₆八面体，该八面体与3个LiO₄四面体、3个CoO₄四面体共享顶点，与2个LiO₆八面体、4个FeO₆八面体共享棱边。Fe–O键长分布范围为1.90~1.98 Å。
在第十一个铁位点中，铁原子与6个氧原子成键，形成FeO₆八面体，该八面体与3个LiO₄四面体、3个CoO₄四面体共享顶点，与2个LiO₆八面体、4个FeO₆八面体共享棱边。Fe–O键长分布范围为1.89~1.99 Å。
在第十二个铁位点中，铁原子与6个氧原子成键，形成FeO₆八面体，该八面体与3个LiO₄四面体、3个CoO₄四面体共享顶点，与2个LiO₆八面体、4个FeO₆八面体共享棱边。Fe–O键长分布范围为1.86~1.97 Å。
该体系存在4个不等价钴（Co）位点。在第一个钴位点中，钴原子与4个氧原子成键，形成CoO₄四面体，该四面体与3个LiO₆八面体、9个FeO₆八面体共享顶点。共顶点八面体的倾斜角范围为55°~67°，存在2条较短的Co–O键（1.94 Å）与2条较长的Co–O键（1.97 Å）。
在第二个钴位点中，钴原子与4个氧原子成键，形成CoO₄四面体，该四面体与3个LiO₆八面体、9个FeO₆八面体共享顶点。共顶点八面体的倾斜角范围为55°~66°，Co–O键长分布范围为1.94~1.98 Å。
在第三个钴位点中，钴原子与4个氧原子成键，形成CoO₄四面体，该四面体与3个LiO₆八面体、9个FeO₆八面体共享顶点。共顶点八面体的倾斜角范围为55°~65°，Co–O键长分布范围为1.93~1.99 Å。
在第四个钴位点中，钴原子与4个氧原子成键，形成CoO₄四面体，该四面体与3个LiO₆八面体、9个FeO₆八面体共享顶点。共顶点八面体的倾斜角范围为54°~66°，存在3条较短的Co–O键（1.95 Å）与1条较长的Co–O键（1.99 Å）。
该体系存在32个不等价氧（O）位点。在第一个氧位点中，氧原子以矩形跷跷板状配位几何与2个锂原子和2个铁原子成键。在第二个氧位点中，氧原子以矩形跷跷板状配位几何与2个锂原子和2个铁原子成键。在第三个氧位点中，氧原子与1个锂原子和3个铁原子成键，形成畸变的OLiFe₃三角锥，该三角锥与2个OFe₃Co四面体共享顶点，同时与4个OLiFe₂Co三角锥共享顶点。在第四个氧位点中，氧原子以矩形跷跷板状配位几何与2个锂原子和2个铁原子成键。在第五个氧位点中，氧原子以矩形跷跷板状配位几何与1个锂原子、2个铁原子和1个钴原子成键。在第六个氧位点中，氧原子与3个铁原子和1个钴原子成键，形成畸变的共顶点OFe₃Co三角锥。在第七个氧位点中，氧原子以矩形跷跷板状配位几何与1个锂原子、2个铁原子和1个钴原子成键。在第八个氧位点中，氧原子与1个锂原子、2个铁原子和1个钴原子成键，形成OLiFe₂Co三角锥，该三角锥与1个OFe₃Co四面体共享一个顶点，与5个OLi₂Fe₂三角锥共享顶点，同时与1个OFe₃Co四面体共享一条棱边。在第九个氧位点中，氧原子以矩形跷跷板状配位几何与1个锂原子、2个铁原子和1个钴原子成键。在第十个氧位点中，氧原子以矩形跷跷板状配位几何与1个锂原子、2个铁原子和1个钴原子成键。在第十一个氧位点中，氧原子与3个铁原子和1个钴原子成键，形成畸变的OFe₃Co四面体，该四面体与5个OLi₂Fe₂三角锥共享顶点，同时与1个OLiFe₂Co三角锥共享一条棱边。在第十二个氧位点中，氧原子以矩形跷跷板状配位几何与1个锂原子、2个铁原子和1个钴原子成键。在第十三个氧位点中，氧原子以矩形跷跷板状配位几何与2个锂原子和2个铁原子成键。在第十四个氧位点中，氧原子以矩形跷跷板状配位几何与1个锂原子和3个铁原子成键。在第十五个氧位点中，氧原子与2个锂原子和2个铁原子成键，形成OLi₂Fe₂三角锥，该三角锥与2个OFe₃Co四面体共享顶点，与3个OLiFe₂Co三角锥共享顶点，同时与1个OLiFe₃三角锥共享一条棱边。在第十六个氧位点中，氧原子以矩形跷跷板状配位几何与2个锂原子和2个铁原子成键。在第十七个氧位点中，氧原子以矩形跷跷板状配位几何与2个锂原子和2个铁原子成键。在第十八个氧位点中，氧原子以矩形跷跷板状配位几何与2个锂原子和2个铁原子成键。在第十九个氧位点中，氧原子与1个锂原子和3个铁原子成键，形成畸变的OLiFe₃三角锥，该三角锥与3个OFe₃Co四面体共享顶点，与6个OLiFe₂Co三角锥共享顶点，同时与1个OLi₂Fe₂三角锥共享一条棱边。在第二十个氧位点中，氧原子以矩形跷跷板状配位几何与2个锂原子和2个铁原子成键。在第二十一个氧位点中，氧原子与1个锂原子、2个铁原子和1个钴原子成键，形成OLiFe₂Co三角锥，该三角锥与1个OFe₃Co四面体共享一个顶点，与3个OLi₂Fe₂三角锥共享顶点，同时与1个OFe₃Co四面体和1个OLiFe₂Co三角锥各共享一条棱边。在第二十二个氧位点中，氧原子与3个铁原子和1个钴原子成键，形成畸变的OFe₃Co四面体，该四面体与4个OLi₂Fe₂三角锥共享顶点，同时与2个OLiFe₂Co三角锥共享棱边。在第二十三个氧位点中，氧原子与1个锂原子、2个铁原子和1个钴原子成键，形成畸变的OLiFe₂Co三角锥，该三角锥与1个OFe₃Co四面体共享一个顶点，与2个OLiFe₃三角锥共享顶点，同时与1个OFe₃Co四面体和2个OLiFe₂Co三角锥各共享一条棱边。在第二十四个氧位点中，氧原子与1个锂原子、2个铁原子和1个钴原子成键，形成OLiFe₂Co三角锥，该三角锥与1个OFe₃Co四面体共享一个顶点，与3个OLiFe₃三角锥共享顶点，同时与1个OFe₃Co四面体和2个OLiFe₂Co三角锥各共享一条棱边。在第二十五个氧位点中，氧原子以矩形跷跷板状配位几何与1个锂原子、2个铁原子和1个钴原子成键。在第二十六个氧位点中，氧原子与1个锂原子、2个铁原子和1个钴原子成键，形成OLiFe₂Co三角锥，该三角锥与1个OFe₃Co四面体共享一个顶点，与4个OLi₂Fe₂三角锥共享顶点，同时与1个OFe₃Co四面体和1个OLiFe₂Co三角锥各共享一条棱边。在第二十七个氧位点中，氧原子与3个铁原子和1个钴原子成键，形成畸变的OFe₃Co四面体，该四面体与5个OLiFe₃三角锥共享顶点，同时与3个OLiFe₂Co三角锥共享棱边。在第二十八个氧位点中，氧原子与1个锂原子、2个铁原子和1个钴原子成键，形成OLiFe₂Co三角锥，该三角锥与3个OLi₂Fe₂三角锥共享顶点，与1个OFe₃Co四面体共享一条棱边，同时与2个OLiFe₂Co三角锥共享棱边。在第二十九个氧位点中，氧原子与2个锂原子和2个铁原子成键，形成OLi₂Fe₂三角锥，共享