Materials Data on Li4V3P8O29 by Materials Project

Li4V3P8O29 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 in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.35 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with four PO4 tetrahedra and an edgeedge with one VO6 octahedra. There are a spread of Li–O bond distances ranging from 1.97–2.11 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.25 Å. In the fourth Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.52 Å. In the fifth Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.60 Å. In the sixth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.35 Å. In the seventh Li1+ site, Li1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.93–2.60 Å. In the eighth Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.79 Å. There are six inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.81–1.96 Å. In the second V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.83–1.93 Å. In the third V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.84–1.92 Å. In the fourth V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six PO4 tetrahedra and an edgeedge with one LiO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.87–2.00 Å. In the fifth V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.85–1.91 Å. In the sixth V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.86–2.02 Å. There are sixteen inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of P–O bond distances ranging from 1.48–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–40°. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–44°. There are a spread of P–O bond distances ranging from 1.49–1.61 Å. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three VO6 octahedra and a cornercorner with one LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 28–37°. There are a spread of P–O bond distances ranging from 1.48–1.60 Å. In the fifth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three VO6 octahedra. The corner-sharing octahedra tilt angles range from 32–38°. There are a spread of P–O bond distances ranging from 1.49–1.59 Å. In the sixth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–44°. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. In the seventh P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–39°. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. In the eighth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra, a cornercorner with one LiO4 tetrahedra, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–39°. There are a spread of P–O bond distances ranging from 1.50–1.60 Å. In the ninth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 35–38°. There are a spread of P–O bond distances ranging from 1.50–1.60 Å. In the tenth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 35–37°. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. In the eleventh P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra, a cornercorner with one LiO4 tetrahedra, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–44°. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. In the twelfth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three VO6 octahedra. The corner-sharing octahedra tilt angles range from 32–35°. There are a spread of P–O bond distances ranging from 1.49–1.59 Å. In the thirteenth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three VO6 octahedra. The corner-sharing octahedra tilt angles range from 32–37°. There are a spread of P–O bond distances ranging from 1.49–1.60 Å. In the fourteenth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–42°. There are a spread of P–O bond distances ranging from 1.48–1.60 Å. In the fifteenth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 36–45°. There are a spread of P–O bond distances ranging from 1.49–1.63 Å. In the sixteenth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two VO6 octahedra, a cornercorner with one LiO4 tetrahedra, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 36–44°. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. There are fifty-eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Li1+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one V+4.67+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one V+4.67+, and one P5+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one V+4.67+, and one P5+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourteenth O2- site, O2- is bonded in a distorted L-shaped geometry to one Li1+ and one P5+ atom. In the fifteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the sixteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the seventeenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one V+4.67+, and one P5+ atom. In the eighteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one V+4.67+, and one P5+ atom. In the nineteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the twentieth O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one P5+ atom. In the twenty-first O2- site, O2- is bonded in a 2-coordinate geometry to two Li1+ and one P5+ atom. In the twenty-second O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the twenty-third O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one V+4.67+, and one P5+ atom. In the twenty-fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the twenty-fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the twenty-sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the twenty-seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the twenty-eighth O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one P5+ atom. In the twenty-ninth O2- site, O2- is bonded in a 2-coordinate geometry to two Li1+ and one P5+ atom. In the thirtieth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the thirty-first O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the thirty-second O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the thirty-third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one V+4.67+, and one P5+ atom. In the thirty-fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the thirty-fifth O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one P5+ atom. In the thirty-sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Li1+ and one P5+ atom. In the thirty-seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the thirty-eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one V+4.67+, and one P5+ atom. In the thirty-ninth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one V+4.67+, and one P5+ atom. In the fortieth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the forty-first O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.67+ and one P5+ atom. In the forty-second O2- site, O2- is bonded in a distorted single-bond geom

Li₄V₃P₈O₂₉晶体属于三斜晶系P1空间群，其结构为三维结构。存在八个不等价的Li¹⁺位点：第一个Li¹⁺位点中，Li¹⁺以四配位几何构型与四个O²⁻原子键合，Li–O键长范围为1.96–2.35 Å；第二个Li¹⁺位点中，Li¹⁺与四个O²⁻原子键合形成扭曲的LiO₄四面体，该四面体与四个PO₄四面体共享顶点，并与一个VO₆八面体共享一条边，Li–O键长范围为1.97–2.11 Å；第三个Li¹⁺位点中，Li¹⁺以四配位几何构型与四个O²⁻原子键合，Li–O键长范围为1.97–2.25 Å；第四个Li¹⁺位点中，Li¹⁺以五配位几何构型与五个O²⁻原子键合，Li–O键长范围为1.94–2.52 Å；第五个Li¹⁺位点中，Li¹⁺以五配位几何构型与五个O²⁻原子键合，Li–O键长范围为1.94–2.60 Å；第六个Li¹⁺位点中，Li¹⁺以四配位几何构型与四个O²⁻原子键合，Li–O键长范围为1.96–2.35 Å；第七个Li¹⁺位点中，Li¹⁺以三配位几何构型与四个O²⁻原子键合，Li–O键长范围为1.93–2.60 Å；第八个Li¹⁺位点中，Li¹⁺以五配位几何构型与五个O²⁻原子键合，Li–O键长范围为1.97–2.79 Å。
存在六个不等价的V⁴·⁶⁷⁺位点：第一个V⁴·⁶⁷⁺位点中，V⁴·⁶⁷⁺与六个O²⁻原子键合形成VO₆八面体，该八面体与六个PO₄四面体共享顶点，V–O键长范围为1.81–1.96 Å；第二个V⁴·⁶⁷⁺位点中，V⁴·⁶⁷⁺与六个O²⁻原子键合形成VO₆八面体，该八面体与六个PO₄四面体共享顶点，V–O键长范围为1.83–1.93 Å；第三个V⁴·⁶⁷⁺位点中，V⁴·⁶⁷⁺与六个O²⁻原子键合形成VO₆八面体，该八面体与六个PO₄四面体共享顶点，V–O键长范围为1.84–1.92 Å；第四个V⁴·⁶⁷⁺位点中，V⁴·⁶⁷⁺与六个O²⁻原子键合形成VO₆八面体，该八面体与六个PO₄四面体共享顶点，并与一个LiO₄四面体共享一条边，V–O键长范围为1.87–2.00 Å；第五个V⁴·⁶⁷⁺位点中，V⁴·⁶⁷⁺与六个O²⁻原子键合形成VO₆八面体，该八面体与六个PO₄四面体共享顶点，V–O键长范围为1.85–1.91 Å；第六个V⁴·⁶⁷⁺位点中，V⁴·⁶⁷⁺与六个O²⁻原子键合形成VO₆八面体，该八面体与六个PO₄四面体共享顶点，V–O键长范围为1.86–2.02 Å。
存在十六个不等价的P⁵⁺位点：第一个P⁵⁺位点中，P⁵⁺与四个O²⁻原子键合形成PO₄四面体，该四面体与两个VO₆八面体共享顶点，并与一个PO₄四面体共享顶点，共享顶点的八面体倾斜角范围为39–41°，P–O键长范围为1.48–1.62 Å；第二个P⁵⁺位点中，P⁵⁺与四个O²⁻原子键合形成PO₄四面体，该四面体与两个VO₆八面体共享顶点，并与一个PO₄四面体共享顶点，共享顶点的八面体倾斜角范围为39–40°，P–O键长范围为1.50–1.63 Å；第三个P⁵⁺位点中，P⁵⁺与四个O²⁻原子键合形成PO₄四面体，该四面体与两个VO₆八面体共享顶点，并与一个PO₄四面体共享顶点，共享顶点的八面体倾斜角范围为37–44°，P–O键长范围为1.49–1.61 Å；第四个P⁵⁺位点中，P⁵⁺与四个O²⁻原子键合形成PO₄四面体，该四面体与三个VO₆八面体共享顶点，并与一个LiO₄四面体共享顶点，共享顶点的八面体倾斜角范围为28–37°，P–O键长范围为1.48–1.60 Å；第五个P⁵⁺位点中，P⁵⁺与四个O²⁻原子键合形成PO₄四面体，该四面体与三个VO₆八面体共享顶点，共享顶点的八面体倾斜角范围为32–38°，P–O键长范围为1.49–1.59 Å；第六个P⁵⁺位点中，P⁵⁺与四个O²⁻原子键合形成PO₄四面体，该四面体与两个VO₆八面体共享顶点，并与一个PO₄四面体共享顶点，共享顶点的八面体倾斜角范围为37–44°，P–O键长范围为1.49–1.62 Å；第七个P⁵⁺位点中，P⁵⁺与四个O²⁻原子键合形成PO₄四面体，该四面体与两个VO₆八面体共享顶点，并与一个PO₄四面体共享顶点，共享顶点的八面体倾斜角范围为37–39°，P–O键长范围为1.50–1.61 Å；第八个P⁵⁺位点中，P⁵⁺与四个O²⁻原子键合形成PO₄四面体，该四面体与两个VO₆八面体共享顶点、与一个LiO₄四面体共享顶点，并与一个PO₄四面体共享顶点，共享顶点的八面体倾斜角范围为38–39°，P–O键长范围为1.50–1.60 Å；第九个P⁵⁺位点中，P⁵⁺与四个O²⁻原子键合形成PO₄四面体，该四面体与两个VO₆八面体共享顶点，并与一个PO₄四面体共享顶点，共享顶点的八面体倾斜角范围为35–38°，P–O键长范围为1.50–1.60 Å；第十个P⁵⁺位点中，P⁵⁺与四个O²⁻原子键合形成PO₄四面体，该四面体与两个VO₆八面体共享顶点，并与一个PO₄四面体共享顶点，共享顶点的八面体倾斜角范围为35–37°，P–O键长范围为1.50–1.61 Å；第十一个P⁵⁺位点中，P⁵⁺与四个O²⁻原子键合形成PO₄四面体，该四面体与两个VO₆八面体共享顶点、与一个LiO₄四面体共享顶点，并与一个PO₄四面体共享顶点，共享顶点的八面体倾斜角范围为37–44°，P–O键长范围为1.50–1.61 Å；第十二个P⁵⁺位点中，P⁵⁺与四个O²⁻原子键合形成PO₄四面体，该四面体与三个VO₆八面体共享顶点，共享顶点的八面体倾斜角范围为32–35°，P–O键长范围为1.49–1.59 Å；第十三个P⁵⁺位点中，P⁵⁺与四个O²⁻原子键合形成PO₄四面体，该四面体与三个VO₆八面体共享顶点，共享顶点的八面体倾斜角范围为32–37°，P–O键长范围为1.49–1.60 Å；第十四个P⁵⁺位点中，P⁵⁺与四个O²⁻原子键合形成PO₄四面体，该四面体与两个VO₆八面体共享顶点，并与一个PO₄四面体共享顶点，共享顶点的八面体倾斜角范围为37–42°，P–O键长范围为1.48–1.60 Å；第十五个P⁵⁺位点中，P⁵⁺与四个O²⁻原子键合形成PO₄四面体，该四面体与两个VO₆八面体共享顶点，并与一个PO₄四面体共享顶点，共享顶点的八面体倾斜角范围为36–45°，P–O键长范围为1.49–1.63 Å；第十六个P⁵⁺位点中，P⁵⁺与四个O²⁻原子键合形成PO₄四面体，该四面体与两个VO₆八面体共享顶点、与一个LiO₄四面体共享顶点，并与一个PO₄四面体共享顶点，共享顶点的八面体倾斜角范围为36–44°，P–O键长范围为1.50–1.63 Å。
存在五十八个不等价的O²⁻位点：第一个O²⁻位点中，O²⁻以150°弯曲几何构型与一个Li¹⁺和一个P⁵⁺原子键合；第二个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第三个O²⁻位点中，O²⁻以扭曲的三角平面几何构型与两个Li¹⁺和一个P⁵⁺原子键合；第四个O²⁻位点中，O²⁻以扭曲的三角平面几何构型与一个Li¹⁺、一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第五个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第六个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第七个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第八个O²⁻位点中，O²⁻以扭曲的120°弯曲几何构型与一个Li¹⁺和一个P⁵⁺原子键合；第九个O²⁻位点中，O²⁻以扭曲的三角平面几何构型与一个Li¹⁺、一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第十个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第十一个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第十二个O²⁻位点中，O²⁻以三配位几何构型与一个Li¹⁺、一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第十三个O²⁻位点中，O²⁻以单键几何构型与一个P⁵⁺原子键合；第十四个O²⁻位点中，O²⁻以扭曲的L形几何构型与一个Li¹⁺和一个P⁵⁺原子键合；第十五个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第十六个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第十七个O²⁻位点中，O²⁻以扭曲的三角非共面几何构型与一个Li¹⁺、一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第十八个O²⁻位点中，O²⁻以扭曲的三角平面几何构型与一个Li¹⁺、一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第十九个O²⁻位点中，O²⁻以扭曲的120°弯曲几何构型与两个P⁵⁺原子键合；第二十个O²⁻位点中，O²⁻以三角平面几何构型与两个Li¹⁺和一个P⁵⁺原子键合；第二十一个O²⁻位点中，O²⁻以二配位几何构型与两个Li¹⁺和一个P⁵⁺原子键合；第二十二个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第二十三个O²⁻位点中，O²⁻以扭曲的T形几何构型与一个Li¹⁺、一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第二十四个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第二十五个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第二十六个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第二十七个O²⁻位点中，O²⁻以120°弯曲几何构型与两个P⁵⁺原子键合；第二十八个O²⁻位点中，O²⁻以三角平面几何构型与两个Li¹⁺和一个P⁵⁺原子键合；第二十九个O²⁻位点中，O²⁻以二配位几何构型与两个Li¹⁺和一个P⁵⁺原子键合；第三十个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第三十一个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第三十二个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第三十三个O²⁻位点中，O²⁻以三配位几何构型与一个Li¹⁺、一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第三十四个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第三十五个O²⁻位点中，O²⁻以三角平面几何构型与两个Li¹⁺和一个P⁵⁺原子键合；第三十六个O²⁻位点中，O²⁻以扭曲的三角平面几何构型与两个Li¹⁺和一个P⁵⁺原子键合；第三十七个O²⁻位点中，O²⁻以扭曲的120°弯曲几何构型与两个P⁵⁺原子键合；第三十八个O²⁻位点中，O²⁻以扭曲的三角平面几何构型与一个Li¹⁺、一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第三十九个O²⁻位点中，O²⁻以三配位几何构型与一个Li¹⁺、一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第四十个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第四十一个O²⁻位点中，O²⁻以150°弯曲几何构型与一个V⁴·⁶⁷⁺和一个P⁵⁺原子键合；第四十二个O²⁻位点中，O²⁻以扭曲的单键几何构型