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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tb2Co3Si5 by Materials Project

Tb2Co3Si5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tb3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Tb–Si bond distances ranging from 2.87–3.16 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Co–Si bond distances ranging from 2.27–2.37 Å. In the second Co2+ site, Co2+ is bonded in a 6-coordinate geometry to six Si+2.40- atoms. There are a spread of Co–Si bond distances ranging from 2.34–2.68 Å. There are four inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent Tb3+, three Co2+, and four Si+2.40- atoms. There are two shorter (2.51 Å) and two longer (2.76 Å) Si–Si bond lengths. In the second Si+2.40- site, Si+2.40- is bonded in a 6-coordinate geometry to four equivalent Tb3+ and four equivalent Co2+ atoms. In the third Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent Tb3+, three Co2+, and four Si+2.40- atoms. Both Si–Si bond lengths are 2.49 Å. In the fourth Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Tb3+, three Co2+, and two Si+2.40- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCoSi by Materials Project

TbCoSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tb3+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are four shorter (2.96 Å) and one longer (3.32 Å) Tb–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 Tb3+ and four equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCoSi by Materials Project

TbCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. There are a spread of Tb–Si bond distances ranging from 2.95–3.13 Å. Co1+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.35–2.50 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Tb3+ and four equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(CoSi)2 by Materials Project

TbCo2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Tb–Si bond lengths are 3.02 Å. Co2+ 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 Tb4+, four equivalent Co2+, and one Si4- atom. The Si–Si bond length is 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCo9Si4 by Materials Project

TbCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Tb–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 (2.45 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 a spread of Co–Si bond distances ranging from 2.28–2.42 Å. 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 2.30 Å. Si4- is bonded in a 12-coordinate geometry to two equivalent Tb3+, nine Co+1.44+, and one Si4- atom. The Si–Si bond length is 2.78 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCoSi2 by Materials Project

TbCoSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb4+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of Tb–Si bond distances ranging from 3.03–3.16 Å. Co4+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Co–Si bond distances ranging from 2.22–2.32 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 12-coordinate geometry to four equivalent Tb4+ and four equivalent Co4+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Tb4+, one Co4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.43 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Co2Si3 by Materials Project

Tb3Co2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to five Si4- atoms to form TbSi5 trigonal bipyramids that share corners with four equivalent CoSi4 tetrahedra, corners with six equivalent TbSi5 trigonal bipyramids, and edges with four equivalent CoSi4 tetrahedra. There are four shorter (2.88 Å) and one longer (3.24 Å) Tb–Si bond lengths. In the second Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Tb–Si bond distances ranging from 2.95–3.27 Å. Co+1.50+ is bonded to four Si4- atoms to form CoSi4 tetrahedra that share corners with three equivalent CoSi4 tetrahedra, corners with two equivalent TbSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with two equivalent TbSi5 trigonal bipyramids. There are a spread of Co–Si bond distances ranging from 2.33–2.63 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Tb3+ and two equivalent Co+1.50+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Tb3+, three equivalent Co+1.50+, and one Si4- atom. The Si–Si bond length is 2.81 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCo9Si2 by Materials Project

TbCo9Si2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 3.01–3.13 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to two equivalent Tb, eight equivalent Co, and four equivalent Si atoms. All Co–Co bond lengths are 2.61 Å. All Co–Si bond lengths are 2.54 Å. In the second Co site, Co is bonded to two equivalent Tb, eight Co, and two equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing CoTb2Co8Si2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.66 Å. There are one shorter (2.35 Å) and one longer (2.37 Å) Co–Si bond lengths. Si is bonded in a 10-coordinate geometry to ten Co atoms.

36 MATERIALS SCIENCE↗