Materials Data on SbXeO2F7 by Materials Project

Abstract

XeSbO2F7 is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one XeSbO2F7 cluster. there are four inequivalent Xe sites. In the first Xe site, Xe is bonded in a 6-coordinate geometry to two O and four F atoms. There is one shorter (1.84 Å) and one longer (1.85 Å) Xe–O bond length. There are a spread of Xe–F bond distances ranging from 2.03–2.65 Å. In the second Xe site, Xe is bonded in a 6-coordinate geometry to two O and four F atoms. Both Xe–O bond lengths are 1.84 Å. There are a spread of Xe–F bond distances ranging from 2.03–2.64 Å. In the third Xe site, Xe is bonded in a 6-coordinate geometry to two O and four F atoms. Both Xe–O bond lengths are 1.84 Å. There are a spread of Xe–F bond distances ranging from 2.03–2.66 Å. In the fourth Xe site, Xe is bonded in a 6-coordinate geometry to two O and four F atoms. Both Xe–O bond lengths are 1.84 Å. There are a spread of Xe–F bond distances ranging from 2.04–2.67 Å. There are four inequivalent Sb sites. In the first Sb site, Sb is bonded in an octahedral geometry to six F atoms. There is three shorter (1.90 Å) and three longer (1.96 Å) Sb–F bond length. In the second Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.98 Å. In the third Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.98 Å. In the fourth Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.98 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Xe atom. In the second O site, O is bonded in a single-bond geometry to one Xe atom. In the third O site, O is bonded in a single-bond geometry to one Xe atom. In the fourth O site, O is bonded in a single-bond geometry to one Xe atom. In the fifth O site, O is bonded in a single-bond geometry to one Xe atom. In the sixth O site, O is bonded in a single-bond geometry to one Xe atom. In the seventh O site, O is bonded in a single-bond geometry to one Xe atom. In the eighth O site, O is bonded in a single-bond geometry to one Xe atom. There are twenty-eight inequivalent F sites. In the first F site, F is bonded in a distorted linear geometry to one Xe and one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Xe and one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Xe and one Sb atom. 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 single-bond geometry to one Xe and one Sb atom. In the eighth F site, F is bonded in a single-bond geometry to one Xe and one Sb atom. In the ninth F site, F is bonded in a single-bond geometry to one Xe and one Sb atom. In the tenth F site, F is bonded in a single-bond geometry to one Sb atom. 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 single-bond geometry to one Sb atom. In the thirteenth F site, F is bonded in a single-bond geometry to one Sb atom. 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 single-bond geometry to one Sb atom. In the sixteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventeenth F site, F is bonded in a single-bond geometry to one Sb atom. 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 Xe and one Sb atom. In the twentieth F site, F is bonded in a single-bond geometry to one Xe and one Sb atom. In the twenty-first F site, F is bonded in a single-bond geometry to one Xe and one Sb atom. In the twenty-second F site, F is bonded in a distorted single-bond geometry to one Xe and one Sb atom. In the twenty-third F site, F is bonded in a distorted linear geometry to one Xe and one Sb atom. In the twenty-fourth F site, F is bonded in a distorted linear geometry to one Xe and one Sb atom. In the twenty-fifth F site, F is bonded in a single-bond geometry to one Xe atom. In the twenty-sixth F site, F is bonded in a single-bond geometry to one Xe atom. In the twenty-seventh F site, F is bonded in a single-bond geometry to one Xe atom. In the twenty-eighth F site, F is bonded in a single-bond geometry to one Xe atom.