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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HoCoSi by Materials Project

HoCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho3+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. There are a spread of Ho–Si bond distances ranging from 2.92–3.13 Å. Co1+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.36–2.51 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Ho3+ and four equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho(CoSi)2 by Materials Project

HoCo2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Ho–Si bond lengths are 3.01 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 2.27 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ho3+, four equivalent Co+2.50+, and one Si4- atom. The Si–Si bond length is 2.49 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoCoSi2 by Materials Project

HoCoSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 4-coordinate geometry to four equivalent Co and ten Si atoms. All Ho–Co bond lengths are 3.05 Å. There are a spread of Ho–Si bond distances ranging from 3.01–3.15 Å. Co is bonded in a 9-coordinate geometry to four equivalent Ho and five Si atoms. There are a spread of Co–Si bond distances ranging from 2.22–2.31 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to four equivalent Ho and four equivalent Co atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ho, one Co, and two equivalent Si atoms. Both Si–Si bond lengths are 2.42 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2Co3Si5 by Materials Project

Ho2Co3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Ho3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Ho–Si bond distances ranging from 2.83–3.07 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.34 Å) and two longer (2.54 Å) Co–Si bond lengths. In the second 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 2.26–2.32 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 2-coordinate geometry to four equivalent Ho3+, three Co2+, and four Si+2.40- atoms. There are two shorter (2.49 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 9-coordinate geometry to four equivalent Ho3+, three Co2+, and two equivalent Si+2.40- atoms. In the third Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent Co2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2CoSi2 by Materials Project

Ho2CoSi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Ho–Si bond distances ranging from 2.87–3.24 Å. In the second Ho3+ site, Ho3+ is bonded to six Si4- atoms to form distorted HoSi6 pentagonal pyramids that share corners with four equivalent HoSi6 pentagonal pyramids, corners with four equivalent CoSi4 tetrahedra, edges with six equivalent HoSi6 pentagonal pyramids, edges with two equivalent CoSi4 tetrahedra, and a faceface with one HoSi6 pentagonal pyramid. There are a spread of Ho–Si bond distances ranging from 2.84–3.11 Å. Co2+ is bonded to four Si4- atoms to form CoSi4 tetrahedra that share corners with four equivalent HoSi6 pentagonal pyramids, corners with two equivalent CoSi4 tetrahedra, edges with two equivalent HoSi6 pentagonal pyramids, and edges with two equivalent CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.34–2.50 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to six Ho3+, three equivalent Co2+, and one Si4- atom. The Si–Si bond length is 2.75 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Ho3+, one Co2+, and one Si4- atom. The Si–Si bond length is 2.57 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Co2Si7 by Materials Project

Ho3Co2Si7 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Ho–Si bond distances ranging from 2.99–3.09 Å. In the second Ho3+ site, Ho3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Ho–Si bond distances ranging from 3.00–3.08 Å. In the third Ho3+ site, Ho3+ is bonded to twelve Si+1.71- atoms to form a mixture of face and corner-sharing HoSi12 cuboctahedra. There are a spread of Ho–Si bond distances ranging from 2.89–2.97 Å. There are two inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five Si+1.71- atoms. There are two shorter (2.24 Å) and three longer (2.25 Å) Co–Si bond lengths. In the second Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five Si+1.71- atoms. There are a spread of Co–Si bond distances ranging from 2.25–2.27 Å. There are seven inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a 12-coordinate geometry to four Ho3+, two equivalent Co+1.50+, and two equivalent Si+1.71- atoms. Both Si–Si bond lengths are 2.62 Å. In the second Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to six Ho3+, one Co+1.50+, and two equivalent Si+1.71- atoms. Both Si–Si bond lengths are 2.42 Å. In the third Si+1.71- site, Si+1.71- is bonded in a 12-coordinate geometry to four Ho3+, two equivalent Co+1.50+, and two equivalent Si+1.71- atoms. Both Si–Si bond lengths are 2.61 Å. In the fourth Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to six Ho3+, one Co+1.50+, and two equivalent Si+1.71- atoms. In the fifth Si+1.71- site, Si+1.71- is bonded in a 10-coordinate geometry to four Ho3+ and two equivalent Co+1.50+ atoms. In the sixth Si+1.71- site, Si+1.71- is bonded in a 4-coordinate geometry to four equivalent Ho3+ and four Si+1.71- atoms. In the seventh Si+1.71- site, Si+1.71- is bonded in a 10-coordinate geometry to four Ho3+ and two equivalent Co+1.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Co2Si3 by Materials Project

Ho3Co2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to five Si4- atoms to form HoSi5 trigonal bipyramids that share corners with four equivalent CoSi4 tetrahedra, corners with six equivalent HoSi5 trigonal bipyramids, and edges with four equivalent CoSi4 tetrahedra. There are four shorter (2.86 Å) and one longer (3.21 Å) Ho–Si bond lengths. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Ho–Si bond distances ranging from 2.92–3.26 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 HoSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with two equivalent HoSi5 trigonal bipyramids. There are a spread of Co–Si bond distances ranging from 2.33–2.60 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Ho3+ and two equivalent Co+1.50+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Ho3+, three equivalent Co+1.50+, and one Si4- atom. The Si–Si bond length is 2.74 Å.

36 MATERIALS SCIENCE↗