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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Gd3S4 by Materials Project

Gd3S4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Gd is bonded to eight equivalent S atoms to form a mixture of distorted face, edge, and corner-sharing GdS8 hexagonal bipyramids. There are four shorter (2.82 Å) and four longer (3.02 Å) Gd–S bond lengths. S is bonded to six equivalent Gd atoms to form a mixture of distorted face, edge, and corner-sharing SGd6 octahedra. The corner-sharing octahedra tilt angles range from 18–49°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdS by Materials Project

GdS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded to six equivalent S atoms to form a mixture of corner and edge-sharing GdS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–S bond lengths are 2.79 Å. S is bonded to six equivalent Gd atoms to form a mixture of corner and edge-sharing SGd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2S3 by Materials Project

Gd2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to seven S2- atoms to form a mixture of distorted edge and corner-sharing GdS7 pentagonal bipyramids. There are a spread of Gd–S bond distances ranging from 2.77–2.84 Å. In the second Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.85–3.37 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to five Gd3+ atoms. In the second S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd10S19 by Materials Project

Gd10S19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S+1.58- atoms. There are a spread of Gd–S bond distances ranging from 2.79–3.04 Å. In the second Gd3+ site, Gd3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Gd–S bond distances ranging from 2.83–2.94 Å. In the third Gd3+ site, Gd3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Gd–S bond distances ranging from 2.83–3.10 Å. There are six inequivalent S+1.58- sites. In the first S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Gd3+ and one S+1.58- atom. The S–S bond length is 2.15 Å. In the second S+1.58- site, S+1.58- is bonded in a 4-coordinate geometry to four equivalent Gd3+ atoms. In the third S+1.58- site, S+1.58- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids. In the fourth S+1.58- site, S+1.58- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids. In the fifth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Gd3+ and one S+1.58- atom. In the sixth S+1.58- site, S+1.58- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2S3 by Materials Project

Gd2S3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.76–3.24 Å. In the second Gd3+ site, Gd3+ is bonded to seven S2- atoms to form distorted edge-sharing GdS7 pentagonal bipyramids. There are a spread of Gd–S bond distances ranging from 2.76–2.91 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SGd5 trigonal bipyramids. In the second S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SGd5 square pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five Gd3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdS2 by Materials Project

GdS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of Gd–S bond distances ranging from 2.85–2.94 Å. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a 8-coordinate geometry to four equivalent Gd3+ and four equivalent S+1.50- atoms. All S–S bond lengths are 2.75 Å. In the second S+1.50- site, S+1.50- is bonded to five equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdS2 by Materials Project

GdS2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Gd3+ is bonded in a 12-coordinate geometry to twelve equivalent S+1.50- atoms. All Gd–S bond lengths are 3.24 Å. S+1.50- is bonded to six equivalent Gd3+ and six equivalent S+1.50- atoms to form a mixture of edge, face, and corner-sharing SGd6S6 cuboctahedra. All S–S bond lengths are 2.76 Å.

36 MATERIALS SCIENCE↗