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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrCo9Si4 by Materials Project

PrCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Pr–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 a spread of Co–Si bond distances ranging from 2.31–2.43 Å. In the second Co+1.44+ site, Co+1.44+ is bonded in a 4-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 Pr3+, 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 Pr(CoSi)2 by Materials Project

PrCo2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Pr–Si bond lengths are 3.11 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 Pr3+, four equivalent Co+2.50+, and one Si4- atom. The Si–Si bond length is 2.71 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrCoSi by Materials Project

PrCoSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr3+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are four shorter (3.04 Å) and one longer (3.71 Å) Pr–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 2.33 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Pr3+ and four equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2CoSi3 by Materials Project

Pr2CoSi3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pr4+ is bonded in a distorted q4 geometry to nine Si4- atoms. There are three shorter (3.15 Å) and six longer (3.21 Å) Pr–Si bond lengths. Co4+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Co–Si bond lengths are 2.33 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr4+ and three equivalent Si4- atoms. All Si–Si bond lengths are 2.33 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr4+ and three equivalent Co4+ atoms. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr4+ and three equivalent Si4- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrCo4Si by Materials Project

PrCo4Si is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to fourteen Co and four equivalent Si atoms. There are a spread of Pr–Co bond distances ranging from 2.85–3.14 Å. All Pr–Si bond lengths are 3.24 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Pr, five Co, and two equivalent Si atoms. There are four shorter (2.47 Å) and one longer (2.65 Å) Co–Co bond lengths. Both Co–Si bond lengths are 2.37 Å. In the second Co site, Co is bonded to four equivalent Pr, six Co, and two equivalent Si atoms to form CoPr4Co6Si2 cuboctahedra that share corners with four equivalent SiPr4Co8 cuboctahedra, corners with twelve equivalent CoPr4Co6Si2 cuboctahedra, edges with four equivalent SiPr4Co8 cuboctahedra, edges with six equivalent CoPr4Co6Si2 cuboctahedra, faces with four equivalent SiPr4Co8 cuboctahedra, and faces with six equivalent CoPr4Co6Si2 cuboctahedra. Both Co–Co bond lengths are 2.57 Å. Both Co–Si bond lengths are 2.45 Å. Si is bonded to four equivalent Pr and eight Co atoms to form distorted SiPr4Co8 cuboctahedra that share corners with eight equivalent CoPr4Co6Si2 cuboctahedra, corners with eight equivalent SiPr4Co8 cuboctahedra, edges with two equivalent SiPr4Co8 cuboctahedra, edges with eight equivalent CoPr4Co6Si2 cuboctahedra, faces with two equivalent SiPr4Co8 cuboctahedra, and faces with eight equivalent CoPr4Co6Si2 cuboctahedra.

36 MATERIALS SCIENCE↗