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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on DyCO4 by Materials Project

DyCO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Dy is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Dy–O bond distances ranging from 2.21–2.81 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.31 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Dy atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Dy and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Dy and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Dy and one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyCO4 by Materials Project

DyCO4 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Dy–O bond distances ranging from 2.33–2.54 Å. In the second Dy site, Dy is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Dy–O bond distances ranging from 2.33–2.60 Å. In the third Dy site, Dy is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Dy–O bond distances ranging from 2.35–2.56 Å. There are six inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.29 Å. In the third C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.29 Å. In the fourth C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.29 Å. In the fifth C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. In the sixth C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.29 Å. There are seventeen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two equivalent Dy and one C atom. In the second O site, O is bonded in a distorted single-bond geometry to two Dy and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Dy and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two Dy and one C atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Dy and one C atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two Dy and one C atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two equivalent Dy and one C atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two Dy and one C atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two equivalent Dy and one C atom. In the tenth O site, O is bonded in a distorted single-bond geometry to two Dy and one C atom. In the eleventh O site, O is bonded in a single-bond geometry to two equivalent Dy and one C atom. In the twelfth O site, O is bonded in a distorted single-bond geometry to two Dy and one C atom. In the thirteenth O site, O is bonded in a trigonal planar geometry to three equivalent Dy atoms. In the fourteenth O site, O is bonded in a trigonal planar geometry to three equivalent Dy atoms. In the fifteenth O site, O is bonded in a trigonal planar geometry to three equivalent Dy atoms. In the sixteenth O site, O is bonded in a trigonal non-coplanar geometry to three Dy atoms. In the seventeenth O site, O is bonded in a trigonal non-coplanar geometry to three Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy12Co7 by Materials Project

Dy12Co7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Dy–Co bond distances ranging from 2.76–2.96 Å. In the second Dy site, Dy is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Dy–Co bond distances ranging from 2.80–3.04 Å. In the third Dy site, Dy is bonded to four Co atoms to form distorted corner-sharing DyCo4 tetrahedra. There are a spread of Dy–Co bond distances ranging from 2.71–3.00 Å. In the fourth Dy site, Dy is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Dy–Co bond distances ranging from 2.81–3.39 Å. In the fifth Dy site, Dy is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Dy–Co bond distances ranging from 2.74–3.12 Å. In the sixth Dy site, Dy is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Dy–Co bond distances ranging from 2.89–3.09 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to eight Dy atoms. In the second Co site, Co is bonded in a 10-coordinate geometry to seven Dy and one Co atom. The Co–Co bond length is 2.31 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to eight Dy and one Co atom. In the fourth Co site, Co is bonded in a 8-coordinate geometry to eight Dy atoms.

36 MATERIALS SCIENCE↗