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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Gd(CoSi)2 by Materials Project

Gd(CoSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Gd–Si bond lengths are 3.04 Å. Co+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.28 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Gd3+, four equivalent Co+2.50+, and one Si4- atom. The Si–Si bond length is 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdCo9Si4 by Materials Project

GdCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Gd–Si bond lengths are 3.17 Å. There are three inequivalent Co+1.44+ sites. In the first Co+1.44+ site, Co+1.44+ is bonded in a 3-coordinate geometry to one Co+1.44+ and four equivalent Si4- atoms. The Co–Co bond length is 2.13 Å. There are two shorter (2.29 Å) and two longer (2.91 Å) Co–Si bond lengths. In the second Co+1.44+ site, Co+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of distorted corner and edge-sharing CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.28–2.43 Å. In the third Co+1.44+ site, Co+1.44+ is bonded in a square co-planar geometry to four equivalent Co+1.44+ atoms. Si4- is bonded in a 10-coordinate geometry to two equivalent Gd3+ and eight Co+1.44+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdCo9Si4 by Materials Project

GdCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Gd–Si bond lengths are 3.22 Å. There are three inequivalent Co+1.44+ sites. In the first Co+1.44+ site, Co+1.44+ is bonded in a 6-coordinate geometry to two equivalent Co+1.44+ and four equivalent Si4- atoms. Both Co–Co bond lengths are 2.30 Å. There are two shorter (2.46 Å) and two longer (2.52 Å) Co–Si bond lengths. In the second Co+1.44+ site, Co+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. There are two shorter (2.30 Å) and two longer (2.42 Å) Co–Si bond lengths. In the third Co+1.44+ site, Co+1.44+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Co–Si bond lengths are 2.32 Å. Si4- is bonded in a 12-coordinate geometry to two equivalent Gd3+, nine Co+1.44+, and one Si4- atom. The Si–Si bond length is 2.79 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdCoSi by Materials Project

GdCoSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd3+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are four shorter (2.95 Å) and one longer (3.40 Å) Gd–Si bond lengths. Co1+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.34 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Gd3+ and four equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2CoSi2 by Materials Project

Gd2CoSi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Gd–Si bond distances ranging from 2.88–3.28 Å. In the second Gd3+ site, Gd3+ is bonded to six Si4- atoms to form distorted GdSi6 pentagonal pyramids that share corners with four equivalent GdSi6 pentagonal pyramids, corners with four equivalent CoSi4 tetrahedra, edges with six equivalent GdSi6 pentagonal pyramids, edges with two equivalent CoSi4 tetrahedra, and a faceface with one GdSi6 pentagonal pyramid. There are a spread of Gd–Si bond distances ranging from 2.89–3.20 Å. Co2+ is bonded to four Si4- atoms to form CoSi4 tetrahedra that share corners with four equivalent GdSi6 pentagonal pyramids, corners with two equivalent CoSi4 tetrahedra, edges with two equivalent GdSi6 pentagonal pyramids, and edges with two equivalent CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.32–2.49 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to six Gd3+, three equivalent Co2+, and one Si4- atom. The Si–Si bond length is 2.86 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Gd3+, one Co2+, and one Si4- atom. The Si–Si bond length is 2.56 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdCoSi3 by Materials Project

GdCoSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Gd3+ is bonded to twelve Si+1.33- atoms to form a mixture of corner, edge, and face-sharing GdSi12 cuboctahedra. There are a spread of Gd–Si bond distances ranging from 2.96–3.22 Å. Co1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.23 Å) and four longer (2.25 Å) Co–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to four equivalent Gd3+, one Co1+, and four equivalent Si+1.33- atoms. All Si–Si bond lengths are 2.60 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 2-coordinate geometry to four equivalent Gd3+, two equivalent Co1+, and two equivalent Si+1.33- atoms.

36 MATERIALS SCIENCE↗