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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr2InPd2 by Materials Project

Pr2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.96 Å) and four longer (3.12 Å) Pr–Pd bond lengths. All Pr–In bond lengths are 3.52 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Pr, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.83 Å. Both Pd–In bond lengths are 3.11 Å. In is bonded to eight equivalent Pr and four equivalent Pd atoms to form a mixture of corner and face-sharing InPr8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr4In21Pd10 by Materials Project

Pr4Pd10In21 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to four Pd and ten In atoms. There are a spread of Pr–Pd bond distances ranging from 3.41–3.53 Å. There are a spread of Pr–In bond distances ranging from 3.23–3.63 Å. In the second Pr site, Pr is bonded in a 2-coordinate geometry to four Pd and eleven In atoms. There are a spread of Pr–Pd bond distances ranging from 3.35–3.46 Å. There are a spread of Pr–In bond distances ranging from 3.23–3.90 Å. In the third Pr site, Pr is bonded in a 2-coordinate geometry to four Pd and eleven In atoms. There are a spread of Pr–Pd bond distances ranging from 3.36–3.46 Å. There are a spread of Pr–In bond distances ranging from 3.23–3.93 Å. In the fourth Pr site, Pr is bonded in a 2-coordinate geometry to four Pd and ten In atoms. There are a spread of Pr–Pd bond distances ranging from 3.41–3.52 Å. There are a spread of Pr–In bond distances ranging from 3.22–3.61 Å. There are ten inequivalent Pd sites. In the first Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.71–2.88 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.79–2.90 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to two equivalent Pr and eight In atoms. There are a spread of Pd–In bond distances ranging from 2.80–3.25 Å. In the fourth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.71–2.88 Å. In the fifth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.78–2.90 Å. In the sixth Pd site, Pd is bonded in a 10-coordinate geometry to two equivalent Pr and eight In atoms. There are a spread of Pd–In bond distances ranging from 2.79–3.22 Å. In the seventh Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.76–2.92 Å. In the eighth Pd site, Pd is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Pd–In bond distances ranging from 2.83–2.93 Å. In the ninth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.75–2.90 Å. In the tenth Pd site, Pd is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Pd–In bond distances ranging from 2.82–2.92 Å. There are twenty-one inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to one Pr and four Pd atoms. In the second In site, In is bonded in a 5-coordinate geometry to two equivalent Pr and three Pd atoms. In the third In site, In is bonded in a 4-coordinate geometry to three Pr and four Pd atoms. In the fourth In site, In is bonded in a 5-coordinate geometry to two equivalent Pr and three Pd atoms. In the fifth In site, In is bonded in a 4-coordinate geometry to one Pr and four Pd atoms. In the sixth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the seventh In site, In is bonded in a 5-coordinate geometry to two Pr and five Pd atoms. In the eighth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the ninth In site, In is bonded in a 4-coordinate geometry to three Pr and four Pd atoms. In the tenth In site, In is bonded in a 1-coordinate geometry to one Pr and three Pd atoms. In the eleventh In site, In is bonded in a 5-coordinate geometry to two Pr and five Pd atoms. In the twelfth In site, In is bonded in a 3-coordinate geometry to one Pr and three Pd atoms. In the thirteenth In site, In is bonded in a 4-coordinate geometry to three Pr and four Pd atoms. In the fourteenth In site, In is bonded in a 4-coordinate geometry to three Pr and four Pd atoms. In the fifteenth In site, In is bonded in a 12-coordinate geometry to four Pd atoms. In the sixteenth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the seventeenth In site, In is bonded in a 5-coordinate geometry to two equivalent Pr and three Pd atoms. In the eighteenth In site, In is bonded in a 3-coordinate geometry to one Pr and four Pd atoms. In the nineteenth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the twentieth In site, In is bonded in a 5-coordinate geometry to two equivalent Pr and three Pd atoms. In the twenty-first In site, In is bonded in a 4-coordinate geometry to one Pr and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2In8Pd by Materials Project

Pr2PdIn8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr is bonded to twelve In atoms to form PrIn12 cuboctahedra that share corners with eight equivalent PrIn12 cuboctahedra, edges with twelve InPr4In8 cuboctahedra, faces with five equivalent PrIn12 cuboctahedra, and faces with eight InPr4In8 cuboctahedra. There are four shorter (3.32 Å) and eight longer (3.36 Å) Pr–In bond lengths. Pd is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Pd–In bond lengths are 2.82 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Pr, two equivalent Pd, and two equivalent In atoms. Both In–In bond lengths are 3.30 Å. In the second In site, In is bonded to four equivalent Pr and eight In atoms to form distorted InPr4In8 cuboctahedra that share corners with eight equivalent InPr4In8 cuboctahedra, edges with four equivalent PrIn12 cuboctahedra, edges with eight equivalent InPr4In8 cuboctahedra, faces with four equivalent PrIn12 cuboctahedra, and faces with nine InPr4In8 cuboctahedra. All In–In bond lengths are 3.37 Å. In the third In site, In is bonded to four equivalent Pr and eight In atoms to form distorted InPr4In8 cuboctahedra that share corners with four equivalent InPr4In8 cuboctahedra, edges with eight equivalent PrIn12 cuboctahedra, edges with eight equivalent InPr4In8 cuboctahedra, faces with four equivalent PrIn12 cuboctahedra, and faces with twelve InPr4In8 cuboctahedra. All In–In bond lengths are 3.36 Å.

36 MATERIALS SCIENCE↗