DOI: 10.17188/1688359
title: Materials Data on V3B100 by Materials Project

description: V3B100 crystallizes in the orthorhombic P222 space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 10-coordinate geometry to fourteen B atoms. There are a spread of V–B bond distances ranging from 2.23–2.49 Å. In the second V site, V is bonded in a 10-coordinate geometry to fourteen B atoms. There are a spread of V–B bond distances ranging from 2.26–2.49 Å. There are twenty-seven inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to one V and six B atoms. There are a spread of B–B bond distances ranging from 1.74–1.88 Å. In the second B site, B is bonded in a 7-coordinate geometry to one V and six B atoms. There are a spread of B–B bond distances ranging from 1.72–1.87 Å. In the third B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.68–1.87 Å. In the fourth B site, B is bonded in a 7-coordinate geometry to one V and six B atoms. There are a spread of B–B bond distances ranging from 1.74–1.88 Å. In the fifth B site, B is bonded in a 7-coordinate geometry to one V and six B atoms. There are a spread of B–B bond distances ranging from 1.73–1.79 Å. In the sixth B site, B is bonded in a 7-coordinate geometry to one V and six B atoms. There are a spread of B–B bond distances ranging from 1.76–1.79 Å. In the seventh B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.68–1.83 Å. In the eighth B site, B is bonded in a 7-coordinate geometry to one V and six B atoms. There are a spread of B–B bond distances ranging from 1.74–1.78 Å. In the ninth B site, B is bonded in a 6-coordinate geometry to one V and six B atoms. There are a spread of B–B bond distances ranging from 1.71–1.82 Å. In the tenth B site, B is bonded in a 6-coordinate geometry to one V and six B atoms. There are a spread of B–B bond distances ranging from 1.71–1.82 Å. In the eleventh B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.71–1.81 Å. In the twelfth B site, B is bonded in a 6-coordinate geometry to one V and six B atoms. There are a spread of B–B bond distances ranging from 1.70–1.82 Å. In the thirteenth B site, B is bonded in a 6-coordinate geometry to two equivalent V and four B atoms. In the fourteenth B site, B is bonded in a 6-coordinate geometry to two equivalent V and four equivalent B atoms. In the fifteenth B site, B is bonded in a distorted trigonal pyramidal geometry to four equivalent B atoms. In the sixteenth B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.76–1.91 Å. In the seventeenth B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.80–1.88 Å. In the eighteenth B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.78–1.87 Å. In the nineteenth B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.77–1.93 Å. In the twentieth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.78 Å) and one longer (1.82 Å) B–B bond length. In the twenty-first B site, B is bonded in a 6-coordinate geometry to six B atoms. The B–B bond length is 1.81 Å. In the twenty-second B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.79 Å) and one longer (1.82 Å) B–B bond length. In the twenty-third B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.76 Å) and one longer (1.82 Å) B–B bond length. In the twenty-fourth B site, B is bonded in a 6-coordinate geometry to six B atoms. The B–B bond length is 1.68 Å. In the twenty-fifth B site, B is bonded in a 6-coordinate geometry to six B atoms. The B–B bond length is 1.71 Å. In the twenty-sixth B site, B is bonded in a 6-coordinate geometry to six B atoms. In the twenty-seventh B site, B is bonded in a 6-coordinate geometry to six B atoms.