DOI: 10.17188/1731503
title: Materials Data on V11Ge8 by Materials Project

description: V11Ge8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are nine inequivalent V sites. In the first V site, V is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of V–Ge bond distances ranging from 2.51–2.57 Å. In the second V site, V is bonded in a 7-coordinate geometry to one V and six Ge atoms. The V–V bond length is 2.50 Å. There are a spread of V–Ge bond distances ranging from 2.47–2.82 Å. In the third V site, V is bonded in a 7-coordinate geometry to one V and six Ge atoms. There are a spread of V–Ge bond distances ranging from 2.51–2.78 Å. In the fourth V site, V is bonded in a 6-coordinate geometry to two equivalent V and six Ge atoms. There are one shorter (2.49 Å) and one longer (2.51 Å) V–V bond lengths. There are a spread of V–Ge bond distances ranging from 2.56–2.62 Å. In the fifth V site, V is bonded to six Ge atoms to form distorted VGe6 pentagonal pyramids that share corners with three equivalent VGe7 pentagonal bipyramids, corners with two equivalent VGe6 pentagonal pyramids, edges with three equivalent VGe7 pentagonal bipyramids, and faces with two equivalent VGe7 pentagonal bipyramids. There are a spread of V–Ge bond distances ranging from 2.50–2.65 Å. In the sixth V site, V is bonded to seven Ge atoms to form distorted VGe7 pentagonal bipyramids that share corners with seven VGe7 pentagonal bipyramids, an edgeedge with one VGe7 pentagonal bipyramid, and faces with two equivalent VGe6 pentagonal pyramids. There are a spread of V–Ge bond distances ranging from 2.58–2.74 Å. In the seventh V site, V is bonded to seven Ge atoms to form distorted VGe7 pentagonal bipyramids that share corners with four VGe7 pentagonal bipyramids, corners with three equivalent VGe6 pentagonal pyramids, edges with three VGe7 pentagonal bipyramids, and faces with two equivalent VGe7 pentagonal bipyramids. There are a spread of V–Ge bond distances ranging from 2.53–2.71 Å. In the eighth V site, V is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of V–Ge bond distances ranging from 2.50–2.66 Å. In the ninth V site, V is bonded to seven Ge atoms to form VGe7 pentagonal bipyramids that share corners with seven VGe7 pentagonal bipyramids, edges with three equivalent VGe6 pentagonal pyramids, and faces with two equivalent VGe7 pentagonal bipyramids. There are a spread of V–Ge bond distances ranging from 2.64–2.78 Å. There are seven inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten V atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine V atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to nine V atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to seven V and two equivalent Ge atoms. There are one shorter (2.45 Å) and one longer (2.54 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to nine V atoms. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to eight V atoms. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to eight V atoms.