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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr2(GeIr)3 by Materials Project

Pr2(IrGe)3 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Pr2(IrGe)3 ribbon oriented in the (0, 0, 1) direction. Pr is bonded in a linear geometry to one Ir and one Ge atom. The Pr–Ir bond length is 2.32 Å. The Pr–Ge bond length is 2.84 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a linear geometry to one Pr and one Ge atom. The Ir–Ge bond length is 2.31 Å. In the second Ir site, Ir is bonded in a linear geometry to two equivalent Ge atoms. Both Ir–Ge bond lengths are 2.32 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a linear geometry to one Pr and one Ir atom. In the second Ge site, Ge is bonded in a linear geometry to two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Ge13Ir4 by Materials Project

Pr3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Pr–Ir bond lengths are 3.24 Å. There are eight shorter (3.20 Å) and four longer (3.29 Å) Pr–Ge bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Ge atoms. All Ir–Ge bond lengths are 2.53 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Pr, two equivalent Ir, and two Ge atoms. There are one shorter (2.66 Å) and one longer (3.08 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(GeIr)2 by Materials Project

PrIr2Ge2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight Ir and eight Ge atoms. There are four shorter (3.27 Å) and four longer (3.36 Å) Pr–Ir bond lengths. There are four shorter (3.28 Å) and four longer (3.31 Å) Pr–Ge bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are one shorter (2.46 Å) and four longer (2.51 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.53 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr and five Ir atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Ge5Ir3 by Materials Project

Pr2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of Pr–Ir bond distances ranging from 3.19–3.59 Å. There are a spread of Pr–Ge bond distances ranging from 3.04–3.39 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent Pr and six Ge atoms. There are four shorter (2.56 Å) and two longer (2.70 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent Pr and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.44–2.55 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.71 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr, three Ir, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrGeIr by Materials Project

PrIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to four equivalent Ir and five equivalent Ge atoms. There are a spread of Pr–Ir bond distances ranging from 3.06–3.11 Å. There are a spread of Pr–Ge bond distances ranging from 3.14–3.20 Å. Ir is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.54–2.65 Å. Ge is bonded in a 10-coordinate geometry to five equivalent Pr and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗