Materials Data on Bi(W3O10)6 by Materials Project

Abstract

Bi(W3O10)6 is beta Polonium structured and crystallizes in the trigonal R3 space group. The structure is zero-dimensional and consists of three Bi(W3O10)6 clusters. there are six inequivalent W sites. In the first W site, W is bonded in a 5-coordinate geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.72–2.64 Å. In the second W site, W is bonded in a 6-coordinate geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.73–2.40 Å. In the third W site, W is bonded in a 6-coordinate geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.73–2.38 Å. In the fourth W site, W is bonded in a 6-coordinate geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.73–2.27 Å. In the fifth W site, W is bonded in a 6-coordinate geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.73–2.35 Å. In the sixth W site, W is bonded in a 6-coordinate geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.73–2.25 Å. Bi is bonded in a distorted T-shaped geometry to three equivalent O atoms. All Bi–O bond lengths are 2.18 Å. There are twenty inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one W atom. In the second O site, O is bonded in a single-bond geometry to one W atom. In the third O site, O is bonded in a bent 120 degrees geometry to two W atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two W atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two W atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two W atoms. In the seventh O site, O is bonded in a single-bond geometry to one W atom. In the eighth O site, O is bonded in a single-bond geometry to one W atom. In the ninth O site, O is bonded in a single-bond geometry to one W atom. In the tenth O site, O is bonded in a single-bond geometry to one W atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to two W atoms. In the twelfth O site, O is bonded in a bent 120 degrees geometry to two W atoms. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to two W atoms. In the fourteenth O site, O is bonded in a bent 150 degrees geometry to two W atoms. In the fifteenth O site, O is bonded in a bent 150 degrees geometry to two equivalent W atoms. In the sixteenth O site, O is bonded in a bent 150 degrees geometry to two equivalent W atoms. In the seventeenth O site, O is bonded in a bent 150 degrees geometry to two W atoms. In the eighteenth O site, O is bonded in a bent 150 degrees geometry to two W atoms. In the nineteenth O site, O is bonded in a 4-coordinate geometry to three W and one Bi atom. In the twentieth O site, O is bonded in a distorted trigonal non-coplanar geometry to three W atoms.