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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdCo9Si4 by Materials Project

NdCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Nd–Si bond lengths are 3.24 Å. There are three inequivalent Co+1.44+ sites. In the first 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 (2.31 Å) and two longer (2.43 Å) Co–Si bond lengths. In the second Co+1.44+ site, Co+1.44+ is bonded in a 6-coordinate geometry to four equivalent Si4- atoms. There are two shorter (2.46 Å) and two longer (2.53 Å) Co–Si bond lengths. In the third Co+1.44+ site, Co+1.44+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Si4- atoms. All Co–Si bond lengths are 2.31 Å. Si4- is bonded in a 12-coordinate geometry to two equivalent Nd3+, nine Co+1.44+, and one Si4- atom. The Si–Si bond length is 2.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCoSi by Materials Project

NdCoSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are four shorter (3.02 Å) and one longer (3.71 Å) Nd–Si bond lengths. Co1+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.33 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nd3+ and four equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd(CoSi)2 by Materials Project

NdCo2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Nd–Si bond lengths are 3.09 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 2.29 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nd3+, four equivalent Co+2.50+, and one Si4- atom. The Si–Si bond length is 2.66 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCoSi2 by Materials Project

NdCoSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 4-coordinate geometry to four equivalent Co and ten Si atoms. All Nd–Co bond lengths are 3.16 Å. There are a spread of Nd–Si bond distances ranging from 3.09–3.21 Å. Co is bonded in a 9-coordinate geometry to four equivalent Nd and five Si atoms. There are a spread of Co–Si bond distances ranging from 2.26–2.36 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to four equivalent Nd and four equivalent Co atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd, one Co, and two equivalent Si atoms. Both Si–Si bond lengths are 2.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2CoSi3 by Materials Project

Nd2CoSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nd is bonded to three equivalent Co and nine Si atoms to form a mixture of edge and face-sharing NdCo3Si9 cuboctahedra. All Nd–Co bond lengths are 3.14 Å. There are three shorter (3.14 Å) and six longer (3.18 Å) Nd–Si bond lengths. Co is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Co–Si bond lengths are 2.33 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Si–Si bond lengths are 2.33 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Co atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCo9Si2 by Materials Project

NdCo9Si2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eighteen Co atoms. There are a spread of Nd–Co bond distances ranging from 3.03–3.13 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to two equivalent Nd, eight equivalent Co, and four equivalent Si atoms. All Co–Co bond lengths are 2.63 Å. All Co–Si bond lengths are 2.54 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Nd, eight Co, and two equivalent Si atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.64 Å. There are one shorter (2.36 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↗