Materials Data on Dy11Y5O24 by Materials Project

Abstract

Dy11Y5O24 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Dy11Y5O24 sheet oriented in the (1, 1, -1) direction. there are eleven inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 4-coordinate geometry to one Y3+ and four O2- atoms. The Dy–Y bond length is 2.45 Å. There are a spread of Dy–O bond distances ranging from 2.09–2.52 Å. In the second Dy3+ site, Dy3+ is bonded in a 2-coordinate geometry to one Dy3+, one Y3+, and eight O2- atoms. The Dy–Dy bond length is 2.35 Å. The Dy–Y bond length is 2.35 Å. There are a spread of Dy–O bond distances ranging from 2.31–2.76 Å. In the third Dy3+ site, Dy3+ is bonded in a hexagonal planar geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.06–2.24 Å. In the fourth Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to one Dy3+ and six O2- atoms. The Dy–Dy bond length is 2.35 Å. There are a spread of Dy–O bond distances ranging from 1.91–2.65 Å. In the fifth Dy3+ site, Dy3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Dy–O bond distances ranging from 1.98–2.36 Å. In the sixth Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to one Y3+ and six O2- atoms. The Dy–Y bond length is 2.35 Å. There are a spread of Dy–O bond distances ranging from 1.91–2.65 Å. In the seventh Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.17–2.47 Å. In the eighth Dy3+ site, Dy3+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Dy–O bond distances ranging from 1.68–2.62 Å. In the ninth Dy3+ site, Dy3+ is bonded in a 10-coordinate geometry to three Dy3+ and seven O2- atoms. The Dy–Dy bond length is 2.45 Å. There are a spread of Dy–O bond distances ranging from 2.23–2.72 Å. In the tenth Dy3+ site, Dy3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Dy–O bond distances ranging from 1.71–2.49 Å. In the eleventh Dy3+ site, Dy3+ is bonded in a 4-coordinate geometry to one Dy3+ and four O2- atoms. There are a spread of Dy–O bond distances ranging from 2.08–2.51 Å. There are five inequivalent Y3+ sites. In the first 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 2.18–2.48 Å. In the second Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Y–O bond distances ranging from 1.72–2.49 Å. In the third Y3+ site, Y3+ is bonded in a 10-coordinate geometry to three Dy3+ and seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.72 Å. In the fourth 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 2.16–2.48 Å. In the fifth Y3+ site, Y3+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Y–O bond distances ranging from 1.69–2.62 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Dy3+ and two Y3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Dy3+ and three Y3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Dy3+ and one O2- atom. The O–O bond length is 2.12 Å. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+, one Y3+, and one O2- atom. The O–O bond length is 2.45 Å. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Dy3+, one Y3+, and three O2- atoms. There are one shorter (2.18 Å) and one longer (2.56 Å) O–O bond lengths. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Dy3+ and two Y3+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Dy3+, one Y3+, and one O2- atom. The O–O bond length is 2.56 Å. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to three Dy3+, one Y3+, and one O2- atom. The O–O bond length is 2.18 Å. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two Dy3+, two Y3+, and three O2- atoms. There are one shorter (2.56 Å) and one longer (2.57 Å) O–O bond lengths. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to three Y3+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three Dy3+ and one Y3+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to two Dy3+ and two Y3+ atoms. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to three Dy3+ and one Y3+ atom. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to two Dy3+ and two Y3+ atoms. In the fifteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Dy3+ and one Y3+ atom. In the sixteenth O2- site, O2- is bonded in a 1-coordinate geometry to four Dy3+ and three O2- atoms. The O–O bond length is 2.44 Å. In the seventeenth O2- site, O2- is bonded in a 3-coordinate geometry to three Dy3+, one Y3+, and one O2- atom. In the eighteenth O2- site, O2- is bonded in a 1-coordinate geometry to two Dy3+, one Y3+, and one O2- atom. In the nineteenth O2- site, O2- is bonded in a 1-coordinate geometry to three Dy3+, one Y3+, and three O2- atoms. The O–O bond length is 2.12 Å. In the twentieth O2- site, O2- is bonded in a 4-coordinate geometry to four Dy3+ atoms. In the twenty-first O2- site, O2- is bonded in a 1-coordinate geometry to two Dy3+, two Y3+, and one O2- atom. In the twenty-second O2- site, O2- is bonded in a 3-coordinate geometry to three Dy3+ and one O2- atom. In the twenty-third O2- site, O2- is bonded in a 4-coordinate geometry to four Dy3+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Dy3+ and one Y3+ atom.