Materials Data on Sb4F15 by Materials Project

Abstract

Sb4F15 crystallizes in the orthorhombic Pca2_1 space group. The structure is one-dimensional and consists of two Sb4F15 ribbons oriented in the (0, 1, 0) direction. there are eight inequivalent Sb sites. In the first Sb site, Sb is bonded in a 4-coordinate geometry to four F atoms. There are a spread of Sb–F bond distances ranging from 1.96–2.29 Å. In the second Sb site, Sb is bonded in a 6-coordinate geometry to four F atoms. There are a spread of Sb–F bond distances ranging from 1.93–2.34 Å. In the third Sb site, Sb is bonded in a 4-coordinate geometry to four F atoms. There are a spread of Sb–F bond distances ranging from 1.92–2.28 Å. In the fourth Sb site, Sb is bonded in a 6-coordinate geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.98–2.63 Å. In the fifth Sb site, Sb is bonded in a 5-coordinate geometry to five F atoms. There are a spread of Sb–F bond distances ranging from 1.95–2.56 Å. In the sixth Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.99 Å. In the seventh Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.94 Å. In the eighth Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.95 Å. There are thirty inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to two Sb atoms. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a distorted single-bond geometry to two Sb atoms. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventh F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the eighth F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the ninth F site, F is bonded in a distorted single-bond geometry to one Sb atom. In the tenth F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the eleventh F site, F is bonded in a single-bond geometry to one Sb atom. In the twelfth F site, F is bonded in a linear geometry to two Sb atoms. In the thirteenth F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the fourteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifteenth F site, F is bonded in a distorted single-bond geometry to one Sb atom. In the sixteenth F site, F is bonded in a distorted single-bond geometry to one Sb atom. In the seventeenth F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the eighteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the nineteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the twentieth F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-first F site, F is bonded in a distorted bent 150 degrees geometry to two Sb atoms. In the twenty-second F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the twenty-third F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-fifth F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-sixth F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-seventh F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-eighth F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-ninth F site, F is bonded in a single-bond geometry to one Sb atom. In the thirtieth F site, F is bonded in a distorted single-bond geometry to two Sb atoms.