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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrCoGe3 by Materials Project

PrCoGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to five equivalent Co and twelve Ge atoms. There are one shorter (3.32 Å) and four longer (3.49 Å) Pr–Co bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.14–3.36 Å. Co is bonded in a 5-coordinate geometry to five equivalent Pr and five Ge atoms. There are one shorter (2.30 Å) and four longer (2.36 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, two equivalent Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.79 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Pr, one Co, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(CoGe)2 by Materials Project

Pr(CoGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All Pr–Co bond lengths are 3.29 Å. All Pr–Ge bond lengths are 3.17 Å. Co is bonded to four equivalent Pr and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing CoPr4Ge4 tetrahedra. All Co–Ge bond lengths are 2.36 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.76 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Co3Ge5 by Materials Project

Pr2Co3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to seven Co and ten Ge atoms. There are a spread of Pr–Co bond distances ranging from 3.13–3.44 Å. There are a spread of Pr–Ge bond distances ranging from 2.95–3.29 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to five equivalent Pr and five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.36–2.44 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. All Co–Ge bond lengths are 2.44 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, two equivalent Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.69 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr, three Co, and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrCoGe by Materials Project

PrCoGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to four equivalent Co and five equivalent Ge atoms. All Pr–Co bond lengths are 3.01 Å. There are four shorter (3.08 Å) and one longer (3.54 Å) Pr–Ge bond lengths. Co is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. All Co–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Pr and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Co3Ge5 by Materials Project

Pr2Co3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to eight Ge atoms. There are a spread of Pr–Ge bond distances ranging from 2.95–3.29 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.37–2.44 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.44–2.80 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr, three Co, and two Ge atoms. There are one shorter (2.68 Å) and one longer (2.69 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, three Co, and four Ge atoms. Both Ge–Ge bond lengths are 2.95 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Co atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to three Co and four Ge atoms.

36 MATERIALS SCIENCE↗