DOI: 10.17188/1689519
title: Materials Data on V7Sb4(NO11)2 by Materials Project

description: V7Sb4(NO11)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are seven inequivalent V+4.86+ sites. In the first V+4.86+ site, V+4.86+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–1.96 Å. In the second V+4.86+ site, V+4.86+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.04 Å. In the third V+4.86+ site, V+4.86+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.05 Å. In the fourth V+4.86+ site, V+4.86+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.60–1.94 Å. In the fifth V+4.86+ site, V+4.86+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.02 Å. In the sixth V+4.86+ site, V+4.86+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.06 Å. In the seventh V+4.86+ site, V+4.86+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.01 Å. There are four inequivalent Sb4+ sites. In the first Sb4+ site, Sb4+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.97–2.07 Å. In the second Sb4+ site, Sb4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.03 Å. In the third Sb4+ site, Sb4+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.94–2.08 Å. In the fourth Sb4+ site, Sb4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (1.99 Å) and two longer (2.01 Å) Sb–O bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to one N3- and five O2- atoms. The N–N bond length is 3.15 Å. There are a spread of N–O bond distances ranging from 3.12–3.24 Å. In the second N3- site, N3- is bonded in a 7-coordinate geometry to one N3- and six O2- atoms. There are a spread of N–O bond distances ranging from 2.98–3.32 Å. There are twenty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V+4.86+ and one N3- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V+4.86+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one N3- and two O2- atoms. There are one shorter (2.73 Å) and one longer (2.90 Å) O–O bond lengths. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two V+4.86+ and one Sb4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two V+4.86+ and one Sb4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two V+4.86+ and one Sb4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two V+4.86+ and one Sb4+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two V+4.86+ and one Sb4+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Sb4+ and one N3- atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two V+4.86+ and one Sb4+ atom. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to two V+4.86+ and one Sb4+ atom. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two V+4.86+ and one Sb4+ atom. In the fourteenth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.86+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.86+ and one N3- atom. In the sixteenth O2- site, O2- is bonded in a T-shaped geometry to three V+4.86+ atoms. In the seventeenth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.86+ and one N3- atom. In the eighteenth O2- site, O2- is bonded in a single-bond geometry to one V+4.86+ and three N3- atoms. In the nineteenth O2- site, O2- is bonded in a single-bond geometry to one V+4.86+ atom. In the twentieth O2- site, O2- is bonded in a single-bond geometry to one V+4.86+ and one O2- atom. In the twenty-first O2- site, O2- is bonded in a single-bond geometry to one V+4.86+, two N3-, and one O2- atom. In the twenty-second O2- site, O2- is bonded in a single-bond geometry to one V+4.86+ and one N3- atom.