Materials Data on Li2V3BiO8 by Materials Project

Li2V3BiO8 is Hausmannite-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 BiO6 octahedra and corners with nine VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–76°. There are a spread of Li–O bond distances ranging from 1.98–2.23 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three BiO6 octahedra and corners with nine VO6 octahedra. The corner-sharing octahedra tilt angles range from 45–73°. There are a spread of Li–O bond distances ranging from 2.01–2.16 Å. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three BiO6 octahedra and corners with nine VO6 octahedra. The corner-sharing octahedra tilt angles range from 43–75°. There are a spread of Li–O bond distances ranging from 2.03–2.20 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three BiO6 octahedra and corners with nine VO6 octahedra. The corner-sharing octahedra tilt angles range from 39–76°. There are a spread of Li–O bond distances ranging from 1.98–2.20 Å. In the fifth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three BiO6 octahedra and corners with nine VO6 octahedra. The corner-sharing octahedra tilt angles range from 39–76°. There are a spread of Li–O bond distances ranging from 1.99–2.17 Å. In the sixth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three BiO6 octahedra and corners with nine VO6 octahedra. The corner-sharing octahedra tilt angles range from 40–75°. There are a spread of Li–O bond distances ranging from 1.98–2.18 Å. In the seventh Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three BiO6 octahedra and corners with nine VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–74°. There are a spread of Li–O bond distances ranging from 1.99–2.16 Å. In the eighth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three BiO6 octahedra and corners with nine VO6 octahedra. The corner-sharing octahedra tilt angles range from 45–76°. There are a spread of Li–O bond distances ranging from 2.00–2.21 Å. There are twelve inequivalent V+3.67+ sites. In the first V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six LiO4 tetrahedra, edges with two BiO6 octahedra, and edges with four VO6 octahedra. There are a spread of V–O bond distances ranging from 1.91–2.04 Å. In the second V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six LiO4 tetrahedra, edges with two BiO6 octahedra, and edges with four VO6 octahedra. There are a spread of V–O bond distances ranging from 2.00–2.15 Å. In the third V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six LiO4 tetrahedra, edges with two BiO6 octahedra, and edges with four VO6 octahedra. There are a spread of V–O bond distances ranging from 1.92–2.08 Å. In the fourth V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six LiO4 tetrahedra, edges with two BiO6 octahedra, and edges with four VO6 octahedra. There are a spread of V–O bond distances ranging from 1.85–2.07 Å. In the fifth V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six LiO4 tetrahedra, edges with two BiO6 octahedra, and edges with four VO6 octahedra. There are a spread of V–O bond distances ranging from 1.85–2.05 Å. In the sixth V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six LiO4 tetrahedra, edges with two BiO6 octahedra, and edges with four VO6 octahedra. There are a spread of V–O bond distances ranging from 2.01–2.13 Å. In the seventh V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six LiO4 tetrahedra, edges with two BiO6 octahedra, and edges with four VO6 octahedra. There are a spread of V–O bond distances ranging from 1.90–2.06 Å. In the eighth V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six LiO4 tetrahedra, edges with two BiO6 octahedra, and edges with four VO6 octahedra. There are a spread of V–O bond distances ranging from 1.90–2.06 Å. In the ninth V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six LiO4 tetrahedra, edges with two BiO6 octahedra, and edges with four VO6 octahedra. There are a spread of V–O bond distances ranging from 2.00–2.15 Å. In the tenth V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six LiO4 tetrahedra, edges with two BiO6 octahedra, and edges with four VO6 octahedra. There are a spread of V–O bond distances ranging from 2.01–2.11 Å. In the eleventh V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six LiO4 tetrahedra, edges with two BiO6 octahedra, and edges with four VO6 octahedra. There are a spread of V–O bond distances ranging from 1.89–2.04 Å. In the twelfth V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six LiO4 tetrahedra, edges with two BiO6 octahedra, and edges with four VO6 octahedra. There are a spread of V–O bond distances ranging from 1.88–2.07 Å. There are four inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six VO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.27–2.43 Å. In the second Bi3+ site, Bi3+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six VO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.25–2.47 Å. In the third Bi3+ site, Bi3+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six VO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.30–2.40 Å. In the fourth Bi3+ site, Bi3+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share corners with six LiO4 tetrahedra and edges with six VO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.29–2.45 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+, two V+3.67+, and one Bi3+ atom. In the second O2- site, O2- is bonded to one Li1+, two V+3.67+, and one Bi3+ atom to form distorted OLiV2Bi trigonal pyramids that share corners with three OLiV2Bi trigonal pyramids and an edgeedge with one OLiV3 trigonal pyramid. In the third O2- site, O2- is bonded to one Li1+ and three V+3.67+ atoms to form distorted corner-sharing OLiV3 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three V+3.67+ atoms. In the seventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the eighth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the ninth O2- site, O2- is bonded to one Li1+, two V+3.67+, and one Bi3+ atom to form distorted OLiV2Bi trigonal pyramids that share a cornercorner with one OLiV3 tetrahedra and corners with four OLiV2Bi trigonal pyramids. In the tenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the eleventh O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three V+3.67+ atoms. In the twelfth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the thirteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the fourteenth O2- site, O2- is bonded to one Li1+ and three V+3.67+ atoms to form a mixture of distorted edge and corner-sharing OLiV3 tetrahedra. In the fifteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the sixteenth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the seventeenth O2- site, O2- is bonded to one Li1+, two V+3.67+, and one Bi3+ atom to form distorted OLiV2Bi trigonal pyramids that share corners with three OLiV2Bi trigonal pyramids and an edgeedge with one OLiV3 tetrahedra. In the eighteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the nineteenth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three V+3.67+ atoms. In the twentieth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the twenty-first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the twenty-second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three V+3.67+ atoms. In the twenty-third O2- site, O2- is bonded to one Li1+, two V+3.67+, and one Bi3+ atom to form distorted corner-sharing OLiV2Bi trigonal pyramids. In the twenty-fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the twenty-fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the twenty-sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the twenty-seventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three V+3.67+ atoms. In the twenty-eighth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the twenty-ninth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the thirtieth O2- site, O2- is bonded to one Li1+ and three V+3.67+ atoms to form a mixture of distorted edge and corner-sharing OLiV3 trigonal pyramids. In the thirty-first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom. In the thirty-second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two V+3.67+, and one Bi3+ atom.

Li₂V₃BiO₈为黑锰矿（Hausmannite）衍生结构，属三斜晶系（triclinic）P1空间群，结构为三维网状。存在8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，该四面体与3个BiO₆八面体以及9个VO₆八面体通过顶角相连。共顶八面体的倾斜角范围为46°~76°，Li-O键的键长分布区间为1.98 Å~2.23 Å。
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3个BiO₆八面体以及9个VO₆八面体通过顶角相连。共顶八面体的倾斜角范围为45°~73°，Li-O键的键长分布区间为2.01 Å~2.16 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3个BiO₆八面体以及9个VO₆八面体通过顶角相连。共顶八面体的倾斜角范围为43°~75°，Li-O键的键长分布区间为2.03 Å~2.20 Å。
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BiO₆八面体以及9个VO₆八面体通过顶角相连。共顶八面体的倾斜角范围为39°~76°，Li-O键的键长分布区间为1.98 Å~2.20 Å。
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3个BiO₆八面体以及9个VO₆八面体通过顶角相连。共顶八面体的倾斜角范围为39°~76°，Li-O键的键长分布区间为1.99 Å~2.17 Å。
在第六个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BiO₆八面体以及9个VO₆八面体通过顶角相连。共顶八面体的倾斜角范围为40°~75°，Li-O键的键长分布区间为1.98 Å~2.18 Å。
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BiO₆八面体以及9个VO₆八面体通过顶角相连。共顶八面体的倾斜角范围为47°~74°，Li-O键的键长分布区间为1.99 Å~2.16 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3个BiO₆八面体以及9个VO₆八面体通过顶角相连。共顶八面体的倾斜角范围为45°~76°，Li-O键的键长分布区间为2.00 Å~2.21 Å。

存在12个不等价的平均氧化态为+3.67的V（V⁺3.67）位点：
在第一个V⁺3.67位点中，V⁺3.67与6个O²⁻原子配位，形成VO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，与2个BiO₆八面体以及4个VO₆八面体通过棱相连。V-O键的键长分布区间为1.91 Å~2.04 Å。
在第二个V⁺3.67位点中，V⁺3.67与6个O²⁻原子配位，形成VO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，与2个BiO₆八面体以及4个VO₆八面体通过棱相连。V-O键的键长分布区间为2.00 Å~2.15 Å。
在第三个V⁺3.67位点中，V⁺3.67与6个O²⁻原子配位，形成VO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，与2个BiO₆八面体以及4个VO₆八面体通过棱相连。V-O键的键长分布区间为1.92 Å~2.08 Å。
在第四个V⁺3.67位点中，V⁺3.67与6个O²⁻原子配位，形成VO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，与2个BiO₆八面体以及4个VO₆八面体通过棱相连。V-O键的键长分布区间为1.85 Å~2.07 Å。
在第五个V⁺3.67位点中，V⁺3.67与6个O²⁻原子配位，形成VO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，与2个BiO₆八面体以及4个VO₆八面体通过棱相连。V-O键的键长分布区间为1.85 Å~2.05 Å。
在第六个V⁺3.67位点中，V⁺3.67与6个O²⁻原子配位，形成VO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，与2个BiO₆八面体以及4个VO₆八面体通过棱相连。V-O键的键长分布区间为2.01 Å~2.13 Å。
在第七个V⁺3.67位点中，V⁺3.67与6个O²⁻原子配位，形成VO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，与2个BiO₆八面体以及4个VO₆八面体通过棱相连。V-O键的键长分布区间为1.90 Å~2.06 Å。
在第八个V⁺3.67位点中，V⁺3.67与6个O²⁻原子配位，形成VO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，与2个BiO₆八面体以及4个VO₆八面体通过棱相连。V-O键的键长分布区间为1.90 Å~2.06 Å。
在第九个V⁺3.67位点中，V⁺3.67与6个O²⁻原子配位，形成VO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，与2个BiO₆八面体以及4个VO₆八面体通过棱相连。V-O键的键长分布区间为2.00 Å~2.15 Å。
在第十个V⁺3.67位点中，V⁺3.67与6个O²⁻原子配位，形成VO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，与2个BiO₆八面体以及4个VO₆八面体通过棱相连。V-O键的键长分布区间为2.01 Å~2.11 Å。
在第十一个V⁺3.67位点中，V⁺3.67与6个O²⁻原子配位，形成VO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，与2个BiO₆八面体以及4个VO₆八面体通过棱相连。V-O键的键长分布区间为1.89 Å~2.04 Å。
在第十二个V⁺3.67位点中，V⁺3.67与6个O²⁻原子配位，形成VO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，与2个BiO₆八面体以及4个VO₆八面体通过棱相连。V-O键的键长分布区间为1.88 Å~2.07 Å。

存在4个不等价的Bi³⁺位点：
在第一个Bi³⁺位点中，Bi³⁺与6个O²⁻原子配位，形成畸变的BiO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，与6个VO₆八面体通过棱相连。Bi-O键的键长分布区间为2.27 Å~2.43 Å。
在第二个Bi³⁺位点中，Bi³⁺与6个O²⁻原子配位，形成畸变的BiO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，与6个VO₆八面体通过棱相连。Bi-O键的键长分布区间为2.25 Å~2.47 Å。
在第三个Bi³⁺位点中，Bi³⁺与6个O²⁻原子配位，形成畸变的BiO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，与6个VO₆八面体通过棱相连。Bi-O键的键长分布区间为2.30 Å~2.40 Å。
在第四个Bi³⁺位点中，Bi³⁺与6个O²⁻原子配位，形成畸变的BiO₆八面体，该八面体与6个LiO₄四面体通过顶角相连，与6个VO₆八面体通过棱相连。Bi-O键的键长分布区间为2.29 Å~2.45 Å。

存在32个不等价的O²⁻位点：
在第一个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第二个O²⁻位点中，O²⁻与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位，形成畸变的OLiV₂Bi三角锥，该三角锥与3个OLiV₂Bi三角锥通过顶角相连，并与1个OLiV₃三角锥通过一条棱相连。
在第三个O²⁻位点中，O²⁻与1个Li⁺以及3个V⁺3.67原子配位，形成畸变的共顶OLiV₃三角锥。
在第四个O²⁻位点中，O²⁻采用四配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第五个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第六个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺以及3个V⁺3.67原子配位。
在第七个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第八个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第九个O²⁻位点中，O²⁻与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位，形成畸变的OLiV₂Bi三角锥，该三角锥与1个OLiV₃四面体通过顶角相连，并与4个OLiV₂Bi三角锥通过顶角相连。
在第十个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第十一个O²⁻位点中，O²⁻采用矩形跷跷板型配位几何，与1个Li⁺以及3个V⁺3.67原子配位。
在第十二个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第十三个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第十四个O²⁻位点中，O²⁻与1个Li⁺以及3个V⁺3.67原子配位，形成兼具畸变棱共享与顶角共享的OLiV₃四面体。
在第十五个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第十六个O²⁻位点中，O²⁻采用矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第十七个O²⁻位点中，O²⁻与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位，形成畸变的OLiV₂Bi三角锥，该三角锥与3个OLiV₂Bi三角锥通过顶角相连，并与1个OLiV₃四面体通过一条棱相连。
在第十八个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第十九个O²⁻位点中，O²⁻采用矩形跷跷板型配位几何，与1个Li⁺以及3个V⁺3.67原子配位。
在第二十个O²⁻位点中，O²⁻采用四配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第二十一个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第二十二个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺以及3个V⁺3.67原子配位。
在第二十三个O²⁻位点中，O²⁻与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位，形成畸变的共顶OLiV₂Bi三角锥。
在第二十四个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第二十五个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第二十六个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第二十七个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺以及3个V⁺3.67原子配位。
在第二十八个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第二十九个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第三十个O²⁻位点中，O²⁻与1个Li⁺以及3个V⁺3.67原子配位，形成畸变的兼具棱共享与顶角共享的OLiV₃三角锥。
在第三十一个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。
在第三十二个O²⁻位点中，O²⁻采用畸变的矩形跷跷板型配位几何，与1个Li⁺、2个V⁺3.67以及1个Bi³⁺原子配位。