DOI: 10.17188/1282384
title: Materials Data on Ta11O2 by Materials Project

description: Ta11O2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-two inequivalent Ta sites. In the first Ta site, Ta is bonded in a single-bond geometry to one O atom. The Ta–O bond length is 1.41 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to four Ta atoms. There are a spread of Ta–Ta bond distances ranging from 1.87–2.51 Å. In the third Ta site, Ta is bonded in a 1-coordinate geometry to two Ta and one O atom. The Ta–Ta bond length is 1.81 Å. The Ta–O bond length is 2.12 Å. In the fourth Ta site, Ta is bonded in a 5-coordinate geometry to four Ta and one O atom. There are a spread of Ta–Ta bond distances ranging from 1.79–2.63 Å. The Ta–O bond length is 2.90 Å. In the fifth Ta site, Ta is bonded in a 2-coordinate geometry to two Ta atoms. The Ta–Ta bond length is 1.86 Å. In the sixth Ta site, Ta is bonded in a 5-coordinate geometry to four Ta and one O atom. There are a spread of Ta–Ta bond distances ranging from 1.86–2.63 Å. The Ta–O bond length is 2.62 Å. In the seventh Ta site, Ta is bonded in a 3-coordinate geometry to four Ta and one O atom. There are a spread of Ta–Ta bond distances ranging from 1.83–2.55 Å. The Ta–O bond length is 2.81 Å. In the eighth Ta site, Ta is bonded in a distorted single-bond geometry to two Ta and one O atom. The Ta–Ta bond length is 2.47 Å. The Ta–O bond length is 1.98 Å. In the ninth Ta site, Ta is bonded in a 5-coordinate geometry to four Ta and one O atom. There are a spread of Ta–Ta bond distances ranging from 1.75–2.64 Å. The Ta–O bond length is 2.84 Å. In the tenth Ta site, Ta is bonded in a 2-coordinate geometry to four Ta atoms. The Ta–Ta bond length is 1.88 Å. In the eleventh Ta site, Ta is bonded in a distorted water-like geometry to one Ta and two O atoms. There is one shorter (1.53 Å) and one longer (2.10 Å) Ta–O bond length. In the twelfth Ta site, Ta is bonded in a distorted single-bond geometry to two O atoms. There are one shorter (1.80 Å) and one longer (2.72 Å) Ta–O bond lengths. In the thirteenth Ta site, Ta is bonded in a distorted single-bond geometry to one O atom. The Ta–O bond length is 2.23 Å. In the fourteenth Ta site, Ta is bonded in a distorted single-bond geometry to one Ta and two O atoms. There are one shorter (1.82 Å) and one longer (2.64 Å) Ta–O bond lengths. In the fifteenth Ta site, Ta is bonded in a 5-coordinate geometry to four Ta and one O atom. There are one shorter (1.83 Å) and one longer (2.52 Å) Ta–Ta bond lengths. The Ta–O bond length is 2.85 Å. In the sixteenth Ta site, Ta is bonded in a 5-coordinate geometry to four Ta and one O atom. There are one shorter (1.86 Å) and one longer (2.45 Å) Ta–Ta bond lengths. The Ta–O bond length is 2.75 Å. In the seventeenth Ta site, Ta is bonded in a 2-coordinate geometry to two Ta atoms. In the eighteenth Ta site, Ta is bonded in a 2-coordinate geometry to three Ta atoms. In the nineteenth Ta site, Ta is bonded in a distorted single-bond geometry to three Ta and one O atom. The Ta–O bond length is 2.26 Å. In the twentieth Ta site, Ta is bonded in a distorted single-bond geometry to two Ta and one O atom. The Ta–O bond length is 2.27 Å. In the twenty-first Ta site, Ta is bonded in a distorted single-bond geometry to two Ta and one O atom. The Ta–O bond length is 2.35 Å. In the twenty-second Ta site, Ta is bonded in a single-bond geometry to one O atom. The Ta–O bond length is 1.52 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted pentagonal bipyramidal geometry to seven Ta atoms. In the second O site, O is bonded in a 2-coordinate geometry to five Ta atoms. In the third O site, O is bonded in a 4-coordinate geometry to four Ta atoms. In the fourth O site, O is bonded in a 2-coordinate geometry to four Ta atoms.