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Materials Data on DyAu by Materials Project

AuDy is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Dy–Au bond lengths are 3.12 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.

36 MATERIALS SCIENCE↗

Materials Data on DyAu2 by Materials Project

Au2Dy crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a distorted q6 geometry to ten equivalent Au atoms. There are two shorter (3.04 Å) and eight longer (3.05 Å) Dy–Au bond lengths. Au is bonded in a 10-coordinate geometry to five equivalent Dy atoms.

36 MATERIALS SCIENCE↗

Materials Data on DyAu by Materials Project

AuDy is alpha-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are a spread of Dy–Au bond distances ranging from 3.01–3.11 Å. Au is bonded in a 7-coordinate geometry to seven equivalent Dy atoms.

36 MATERIALS SCIENCE↗

Materials Data on Dy14Au51 by Materials Project

Au51Dy14 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are five inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 11-coordinate geometry to fourteen Au+0.82- atoms. There are a spread of Dy–Au bond distances ranging from 3.06–3.40 Å. In the second Dy3+ site, Dy3+ is bonded in a 11-coordinate geometry to fourteen Au+0.82- atoms. There are a spread of Dy–Au bond distances ranging from 3.04–3.34 Å. In the third Dy3+ site, Dy3+ is bonded in a 2-coordinate geometry to fourteen Au+0.82- atoms. There are a spread of Dy–Au bond distances ranging from 3.06–3.70 Å. In the fourth Dy3+ site, Dy3+ is bonded in a 1-coordinate geometry to fourteen Au+0.82- atoms. There are a spread of Dy–Au bond distances ranging from 2.96–3.39 Å. In the fifth Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to fifteen Au+0.82- atoms. There are a spread of Dy–Au bond distances ranging from 3.13–3.36 Å. There are thirteen inequivalent Au+0.82- sites. In the first Au+0.82- site, Au+0.82- is bonded in a 12-coordinate geometry to four Dy3+ and eight Au+0.82- atoms. There are a spread of Au–Au bond distances ranging from 2.78–3.13 Å. In the second Au+0.82- site, Au+0.82- is bonded to four Dy3+ and eight Au+0.82- atoms to form a mixture of distorted edge and face-sharing AuDy4Au8 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.75–2.94 Å. In the third Au+0.82- site, Au+0.82- is bonded in a 12-coordinate geometry to four Dy3+ and eight Au+0.82- atoms. There are a spread of Au–Au bond distances ranging from 2.78–3.14 Å. In the fourth Au+0.82- site, Au+0.82- is bonded in a 11-coordinate geometry to four Dy3+ and seven Au+0.82- atoms. There are a spread of Au–Au bond distances ranging from 2.81–3.05 Å. In the fifth Au+0.82- site, Au+0.82- is bonded in a 11-coordinate geometry to four Dy3+ and seven Au+0.82- atoms. There are a spread of Au–Au bond distances ranging from 2.81–3.07 Å. In the sixth Au+0.82- site, Au+0.82- is bonded in a 3-coordinate geometry to three equivalent Dy3+ and seven Au+0.82- atoms. There are one shorter (2.90 Å) and three longer (2.91 Å) Au–Au bond lengths. In the seventh Au+0.82- site, Au+0.82- is bonded in a 3-coordinate geometry to three equivalent Dy3+ and seven Au+0.82- atoms. There are one shorter (2.90 Å) and three longer (2.91 Å) Au–Au bond lengths. In the eighth Au+0.82- site, Au+0.82- is bonded to four Dy3+ and eight Au+0.82- atoms to form a mixture of distorted edge and face-sharing AuDy4Au8 cuboctahedra. Both Au–Au bond lengths are 2.83 Å. In the ninth Au+0.82- site, Au+0.82- is bonded in a distorted trigonal planar geometry to three equivalent Dy3+ and eight Au+0.82- atoms. In the tenth Au+0.82- site, Au+0.82- is bonded in a 3-coordinate geometry to three equivalent Dy3+ and eight Au+0.82- atoms. In the eleventh Au+0.82- site, Au+0.82- is bonded in a 11-coordinate geometry to four Dy3+ and seven Au+0.82- atoms. The Au–Au bond length is 3.04 Å. In the twelfth Au+0.82- site, Au+0.82- is bonded in a 3-coordinate geometry to four Dy3+ and six Au+0.82- atoms. Both Au–Au bond lengths are 2.86 Å. In the thirteenth Au+0.82- site, Au+0.82- is bonded in a 4-coordinate geometry to four Dy3+ and seven Au+0.82- atoms. The Au–Au bond length is 3.00 Å.

36 MATERIALS SCIENCE↗

Materials Data on Dy2Au by Materials Project

AuDy2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Au atoms to form a mixture of edge and corner-sharing DyAu4 tetrahedra. There are a spread of Dy–Au bond distances ranging from 2.90–3.05 Å. In the second Dy site, Dy is bonded in a 3-coordinate geometry to five equivalent Au atoms. There are a spread of Dy–Au bond distances ranging from 2.96–3.62 Å. Au is bonded in a 9-coordinate geometry to nine Dy atoms.

36 MATERIALS SCIENCE↗

Materials Data on DyAu6 by Materials Project

Au6Dy crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Dy3+ is bonded in a 5-coordinate geometry to fifteen Au+0.50- atoms. There are a spread of Dy–Au bond distances ranging from 3.03–3.48 Å. There are five inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 2-coordinate geometry to three equivalent Dy3+ and five Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.81–3.15 Å. In the second Au+0.50- site, Au+0.50- is bonded in a distorted bent 120 degrees geometry to three equivalent Dy3+ and four Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.89–2.94 Å. In the third Au+0.50- site, Au+0.50- is bonded in a 10-coordinate geometry to two equivalent Dy3+ and eight Au+0.50- atoms. In the fourth Au+0.50- site, Au+0.50- is bonded in a distorted linear geometry to two equivalent Dy3+ and four equivalent Au+0.50- atoms. All Au–Au bond lengths are 2.86 Å. In the fifth Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to two equivalent Dy3+ and ten Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.87–3.10 Å.

36 MATERIALS SCIENCE↗

Materials Data on DyAu3 by Materials Project

Au3Dy is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Dy3+ is bonded to twelve Au1- atoms to form a mixture of edge, corner, and face-sharing DyAu12 cuboctahedra. There are a spread of Dy–Au bond distances ranging from 3.02–3.11 Å. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 12-coordinate geometry to four equivalent Dy3+ atoms. In the second Au1- site, Au1- is bonded in a distorted see-saw-like geometry to four equivalent Dy3+ atoms.

36 MATERIALS SCIENCE↗