DOI: 10.17188/1290845
title: Materials Data on Y11Ta5O28 by Materials Project

description: Y11Ta5O28 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eleven inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.07–2.75 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.03–2.79 Å. In the third Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.09–2.77 Å. In the fourth Y3+ site, Y3+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.97 Å) and one longer (1.98 Å) Y–O bond length. In the fifth Y3+ site, Y3+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (1.98 Å) and one longer (2.07 Å) Y–O bond lengths. In the sixth Y3+ site, Y3+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (1.97 Å) and one longer (2.09 Å) Y–O bond lengths. In the seventh Y3+ site, Y3+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of Y–O bond distances ranging from 1.93–2.77 Å. In the eighth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.09–2.77 Å. In the ninth Y3+ site, Y3+ is bonded in a 2-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 1.82–2.90 Å. In the tenth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.07–2.74 Å. In the eleventh Y3+ site, Y3+ is bonded in a 2-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 1.82–2.89 Å. There are five inequivalent Ta+4.60+ sites. In the first Ta+4.60+ site, Ta+4.60+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.57–2.53 Å. In the second Ta+4.60+ site, Ta+4.60+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.67–2.65 Å. In the third Ta+4.60+ site, Ta+4.60+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 2.07–2.44 Å. In the fourth Ta+4.60+ site, Ta+4.60+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.67–2.66 Å. In the fifth Ta+4.60+ site, Ta+4.60+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 2.06–2.45 Å. There are twenty-eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Y3+ and two Ta+4.60+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Y3+ and two Ta+4.60+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Y3+ and two Ta+4.60+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Ta+4.60+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four Y3+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Y3+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Y3+ and one Ta+4.60+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to three Y3+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one Ta+4.60+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two Y3+ and one Ta+4.60+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to one Y3+ and two Ta+4.60+ atoms. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to two Ta+4.60+ atoms. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Y3+ and one Ta+4.60+ atom. In the fourteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Y3+ and one Ta+4.60+ atom. In the fifteenth O2- site, O2- is bonded in a 1-coordinate geometry to two Y3+ and two Ta+4.60+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted single-bond geometry to two Y3+ and two Ta+4.60+ atoms. In the seventeenth O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one Ta+4.60+ atom. In the eighteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one Ta+4.60+ atom. In the nineteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Y3+ and one Ta+4.60+ atom. In the twentieth O2- site, O2- is bonded in a 1-coordinate geometry to two Y3+ and one Ta+4.60+ atom. In the twenty-first O2- site, O2- is bonded in a 2-coordinate geometry to two Y3+ and one Ta+4.60+ atom. In the twenty-second O2- site, O2- is bonded in a 1-coordinate geometry to two Y3+ and one Ta+4.60+ atom. In the twenty-third O2- site, O2- is bonded in a 2-coordinate geometry to three Y3+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 1-coordinate geometry to four Y3+ atoms. In the twenty-fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Y3+ atoms. In the twenty-sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Y3+ and one Ta+4.60+ atom. In the twenty-seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Y3+ and one Ta+4.60+ atom. In the twenty-eighth O2- site, O2- is bonded in a 1-coordinate geometry to two Y3+ and one Ta+4.60+ atom.