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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Dy2S3 by Materials Project

Dy2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Dy–S bond distances ranging from 2.82–3.34 Å. In the second Dy3+ site, Dy3+ is bonded to seven S2- atoms to form a mixture of distorted corner and edge-sharing DyS7 pentagonal bipyramids. There are a spread of Dy–S bond distances ranging from 2.75–2.82 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to five Dy3+ atoms. In the second S2- site, S2- is bonded to five Dy3+ atoms to form a mixture of distorted corner and edge-sharing SDy5 square pyramids. In the third S2- site, S2- is bonded to five Dy3+ atoms to form a mixture of distorted corner and edge-sharing SDy5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyS2 by Materials Project

DyS2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy3+ is bonded in a 12-coordinate geometry to twelve equivalent S+1.50- atoms. All Dy–S bond lengths are 3.23 Å. S+1.50- is bonded to six equivalent Dy3+ and six equivalent S+1.50- atoms to form a mixture of edge, face, and corner-sharing SDy6S6 cuboctahedra. All S–S bond lengths are 2.76 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyS by Materials Project

DyS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded to six equivalent S atoms to form a mixture of edge and corner-sharing DyS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–S bond lengths are 2.76 Å. S is bonded to six equivalent Dy atoms to form a mixture of edge and corner-sharing SDy6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2S3 by Materials Project

Dy2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Dy–S bond distances ranging from 2.72–3.17 Å. In the second Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Dy–S bond distances ranging from 2.75–2.99 Å. In the third Dy3+ site, Dy3+ is bonded to eight S2- atoms to form distorted edge-sharing DyS8 hexagonal bipyramids. There are a spread of Dy–S bond distances ranging from 2.76–3.06 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Dy3+ atoms. In the second S2- site, S2- is bonded to five Dy3+ atoms to form a mixture of distorted corner, edge, and face-sharing SDy5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Dy3+ atoms to form a mixture of distorted corner, edge, and face-sharing SDy5 square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3S4 by Materials Project

Dy3S4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Dy is bonded to eight equivalent S atoms to form a mixture of distorted edge, face, and corner-sharing DyS8 hexagonal bipyramids. There are four shorter (2.77 Å) and four longer (2.99 Å) Dy–S bond lengths. S is bonded to six equivalent Dy atoms to form a mixture of distorted edge, face, and corner-sharing SDy6 octahedra. The corner-sharing octahedra tilt angles range from 19–49°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2S3 by Materials Project

Dy2S3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to seven S2- atoms to form distorted edge-sharing DyS7 pentagonal bipyramids. There are a spread of Dy–S bond distances ranging from 2.73–2.90 Å. In the second Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Dy–S bond distances ranging from 2.74–3.07 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Dy3+ atoms to form a mixture of distorted edge, corner, and face-sharing SDy5 square pyramids. In the second S2- site, S2- is bonded to five Dy3+ atoms to form a mixture of distorted edge, corner, and face-sharing SDy5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SDy5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyS2 by Materials Project

DyS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Dy3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of Dy–S bond distances ranging from 2.83–2.92 Å. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded to five equivalent Dy3+ atoms to form a mixture of distorted edge and corner-sharing SDy5 trigonal bipyramids. In the second S+1.50- site, S+1.50- is bonded in a 8-coordinate geometry to four equivalent Dy3+ and four equivalent S+1.50- atoms. All S–S bond lengths are 2.73 Å.

36 MATERIALS SCIENCE↗