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DOE OSTI2020

Materials Data on PrI3O10 by Materials Project

PrO10I3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Pr–O bond distances ranging from 2.44–2.61 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Pr and one I atom. The O–I bond length is 1.83 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and one I atom. The O–I bond length is 1.86 Å. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Pr and one I atom. The O–I bond length is 1.84 Å. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Pr and one I atom. The O–I bond length is 1.82 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Pr and one I atom. The O–I bond length is 1.84 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Pr and one I atom. The O–I bond length is 1.85 Å. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and one I atom. The O–I bond length is 1.83 Å. In the ninth O site, O is bonded in a 2-coordinate geometry to one Pr and one I atom. The O–I bond length is 1.83 Å. In the tenth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 2.39 Å. There are three inequivalent I sites. In the first I site, I is bonded in a 4-coordinate geometry to four O atoms. In the second I site, I is bonded in a 3-coordinate geometry to three O atoms. In the third I site, I is bonded in a 3-coordinate geometry to three O atoms.

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Materials Data on RbPr(SO6)2 by Materials Project

RbPr(SO6)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.51 Å. Pr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Pr–O bond distances ranging from 2.38–2.73 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.52 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.53 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Rb and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a single-bond geometry to one Rb and one S atom. In the third O site, O is bonded in a distorted water-like geometry to one Pr and one S atom. In the fourth O site, O is bonded in a distorted linear geometry to one Pr and one S atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Pr and one S atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Rb and one Pr atom. In the seventh O site, O is bonded in a 1-coordinate geometry to two equivalent Rb, one Pr, and one S atom. In the eighth O site, O is bonded in a distorted water-like geometry to one Pr and one S atom. In the ninth O site, O is bonded in a single-bond geometry to one S atom. In the tenth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb, one Pr, and one S atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.32 Å. In the twelfth O site, O is bonded in a water-like geometry to one Pr and one O atom.

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Materials Data on Pr5CuBi3 by Materials Project

Pr5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Pr–Bi bond lengths are 3.44 Å. In the second Pr site, Pr is bonded to two equivalent Cu and five equivalent Bi atoms to form a mixture of distorted face, edge, and corner-sharing PrCu2Bi5 pentagonal bipyramids. Both Pr–Cu bond lengths are 3.00 Å. There are a spread of Pr–Bi bond distances ranging from 3.29–3.54 Å. Cu is bonded to six equivalent Pr atoms to form face-sharing CuPr6 octahedra. Bi is bonded in a 9-coordinate geometry to nine Pr atoms.

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Materials Data on Pr5Bi3Br by Materials Project

Pr5Bi3Br crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 7-coordinate geometry to five equivalent Bi and two equivalent Br atoms. There are three shorter (3.33 Å) and two longer (3.55 Å) Pr–Bi bond lengths. Both Pr–Br bond lengths are 3.15 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Pr–Bi bond lengths are 3.46 Å. Bi is bonded in a 9-coordinate geometry to nine Pr atoms. Br is bonded to six equivalent Pr atoms to form face-sharing BrPr6 octahedra.

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Materials Data on Pr3Ge5 by Materials Project

Pr3Ge5 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.07–3.55 Å. In the second Pr site, Pr is bonded in a 8-coordinate geometry to ten Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.11–3.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six Pr and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.67 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Pr and three Ge atoms. There are one shorter (2.59 Å) and one longer (2.71 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six Pr and two equivalent Ge atoms.

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Materials Data on Pr3MgAl2 by Materials Project

MgPr3Al2 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. All Mg–Pr bond lengths are 3.39 Å. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Pr–Al bond lengths are 3.22 Å. In the second Pr site, Pr is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Pr–Al bond lengths are 3.30 Å. Al is bonded in a body-centered cubic geometry to eight Pr atoms.

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Materials Data on Pr5Sn3Au by Materials Project

Pr5AuSn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 7-coordinate geometry to two equivalent Au and five equivalent Sn atoms. Both Pr–Au bond lengths are 3.11 Å. There are a spread of Pr–Sn bond distances ranging from 3.27–3.59 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Pr–Sn bond lengths are 3.46 Å. Au is bonded to six equivalent Pr atoms to form face-sharing AuPr6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Pr atoms.

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Materials Data on PrIn3Pt by Materials Project

PrPtIn3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a cuboctahedral geometry to twelve equivalent In atoms. All Pr–In bond lengths are 3.54 Å. In the second Pr site, Pr is bonded in a 8-coordinate geometry to four equivalent Pt and twelve equivalent In atoms. All Pr–Pt bond lengths are 3.57 Å. There are eight shorter (3.49 Å) and four longer (3.57 Å) Pr–In bond lengths. Pt is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent In atoms. All Pt–In bond lengths are 2.79 Å. In is bonded in a 2-coordinate geometry to four Pr and two equivalent Pt atoms.

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Materials Data on PrB5IO11 by Materials Project

PrB5O11I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to eight O atoms. There are a spread of Pr–O bond distances ranging from 2.23–2.79 Å. There are five inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.37–1.39 Å. In the second B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.52 Å. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.35–1.40 Å. In the fourth B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.36 Å) and one longer (1.41 Å) B–O bond length. In the fifth B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There is two shorter (1.45 Å) and two longer (1.51 Å) B–O bond length. There are eleven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and two B atoms. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.92 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and two B atoms. In the fourth O site, O is bonded in a linear geometry to one Pr and one I atom. The O–I bond length is 1.97 Å. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and two B atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Pr and two B atoms. In the seventh O site, O is bonded in a linear geometry to one Pr and one B atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Pr and two B atoms. In the tenth O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the eleventh O site, O is bonded in a bent 120 degrees geometry to one Pr and two B atoms. I is bonded in a linear geometry to two O atoms.

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Materials Data on Pr3Gd3Mn23 by Materials Project

Gd3Pr3Mn23 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Gd–Mn bond distances ranging from 2.94–3.11 Å. Pr is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Pr–Mn bond distances ranging from 2.96–3.18 Å. There are eleven inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted q6 geometry to two equivalent Gd, one Pr, and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.38–2.67 Å. In the second Mn site, Mn is bonded to two equivalent Gd, two equivalent Pr, and eight Mn atoms to form a mixture of face and corner-sharing MnPr2Gd2Mn8 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.50–2.72 Å. In the third Mn site, Mn is bonded to two equivalent Gd, two equivalent Pr, and eight Mn atoms to form a mixture of face and corner-sharing MnPr2Gd2Mn8 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.48–2.71 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to three equivalent Gd and ten Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.50–2.96 Å. In the fifth Mn site, Mn is bonded in a 10-coordinate geometry to one Gd, two equivalent Pr, and ten Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.62–2.98 Å. In the sixth Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Pr and ten Mn atoms. The Mn–Mn bond length is 2.56 Å. In the seventh Mn site, Mn is bonded in a 10-coordinate geometry to two equivalent Gd, one Pr, and ten Mn atoms. There are one shorter (2.56 Å) and one longer (2.64 Å) Mn–Mn bond lengths. In the eighth Mn site, Mn is bonded in a body-centered cubic geometry to eight Mn atoms. In the ninth Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Gd and nine Mn atoms. All Mn–Mn bond lengths are 2.50 Å. In the tenth Mn site, Mn is bonded to one Gd, two equivalent Pr, and nine Mn atoms to form a mixture of distorted face and corner-sharing MnPr2GdMn9 cuboctahedra. Both Mn–Mn bond lengths are 2.51 Å. In the eleventh Mn site, Mn is bonded to three equivalent Pr and nine Mn atoms to form a mixture of face and corner-sharing MnPr3Mn9 cuboctahedra.

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Materials Data on PrNdCo14B by Materials Project

NdPrCo14B crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to sixteen Co and one B atom. There are a spread of Nd–Co bond distances ranging from 2.96–3.31 Å. The Nd–B bond length is 2.84 Å. Pr is bonded in a 12-coordinate geometry to sixteen Co and two equivalent B atoms. There are a spread of Pr–Co bond distances ranging from 2.96–3.24 Å. Both Pr–B bond lengths are 3.14 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Nd, one Pr, and nine Co atoms to form a mixture of distorted edge, corner, and face-sharing CoPrNd2Co9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.35–2.72 Å. In the second Co site, Co is bonded in a distorted single-bond geometry to one Nd, one Pr, seven Co, and one B atom. There are a spread of Co–Co bond distances ranging from 2.41–2.72 Å. The Co–B bond length is 2.05 Å. In the third Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Pr, four Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.71 Å. Both Co–B bond lengths are 2.03 Å. In the fourth Co site, Co is bonded in a 2-coordinate geometry to one Nd, one Pr, and twelve Co atoms. There are two shorter (2.58 Å) and two longer (2.59 Å) Co–Co bond lengths. In the fifth Co site, Co is bonded to two equivalent Nd, two equivalent Pr, and eight Co atoms to form a mixture of corner and face-sharing CoPr2Nd2Co8 cuboctahedra. All Co–Co bond lengths are 2.46 Å. In the sixth Co site, Co is bonded in a distorted q6 geometry to one Nd, one Pr, and ten Co atoms. There are two shorter (2.42 Å) and one longer (2.49 Å) Co–Co bond lengths. B is bonded in a 6-coordinate geometry to one Nd, two equivalent Pr, and six Co atoms.

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Materials Data on Pr3Tm3Mn23 by Materials Project

Tm3Pr3Mn23 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Tm–Mn bond distances ranging from 2.87–3.15 Å. Pr is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Pr–Mn bond distances ranging from 2.95–3.18 Å. There are eleven inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to one Tm, two equivalent Pr, and ten Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.54–2.91 Å. In the second Mn site, Mn is bonded to two equivalent Tm, two equivalent Pr, and eight Mn atoms to form a mixture of corner and face-sharing MnPr2Tm2Mn8 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.50–2.73 Å. In the third Mn site, Mn is bonded to two equivalent Tm, two equivalent Pr, and eight Mn atoms to form a mixture of corner and face-sharing MnPr2Tm2Mn8 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.45–2.70 Å. In the fourth Mn site, Mn is bonded to three equivalent Pr and nine Mn atoms to form a mixture of distorted corner and face-sharing MnPr3Mn9 cuboctahedra. There are three shorter (2.42 Å) and three longer (2.70 Å) Mn–Mn bond lengths. In the fifth Mn site, Mn is bonded to two equivalent Tm, one Pr, and nine Mn atoms to form a mixture of distorted corner and face-sharing MnPrTm2Mn9 cuboctahedra. There are two shorter (2.47 Å) and three longer (2.70 Å) Mn–Mn bond lengths. In the sixth Mn site, Mn is bonded to three equivalent Tm and nine Mn atoms to form a mixture of distorted corner and face-sharing MnTm3Mn9 cuboctahedra. All Mn–Mn bond lengths are 2.46 Å. In the seventh Mn site, Mn is bonded in a distorted q6 geometry to one Tm, two equivalent Pr, and nine Mn atoms. There are two shorter (2.43 Å) and one longer (2.69 Å) Mn–Mn bond lengths. In the eighth Mn site, Mn is bonded in a body-centered cubic geometry to eight Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.43–2.56 Å. In the ninth Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Pr and ten Mn atoms. In the tenth Mn site, Mn is bonded in a 4-coordinate geometry to two equivalent Tm, one Pr, and ten Mn atoms. The Mn–Mn bond length is 2.87 Å. In the eleventh Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Tm and ten Mn atoms.

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Materials Data on PrSn3Ru by Materials Project

PrRuSn3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to four equivalent Ru and twelve equivalent Sn atoms. All Pr–Ru bond lengths are 3.49 Å. There are four shorter (3.44 Å) and eight longer (3.45 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms. All Pr–Sn bond lengths are 3.45 Å. Ru is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Sn atoms. All Ru–Sn bond lengths are 2.70 Å. Sn is bonded in a 2-coordinate geometry to four Pr, two equivalent Ru, and three equivalent Sn atoms. There are one shorter (3.10 Å) and two longer (3.19 Å) Sn–Sn bond lengths.

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Materials Data on PrNi3 by Materials Project

PrNi3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.90 Å) and twelve longer (3.22 Å) Pr–Ni bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Pr–Ni bond distances ranging from 2.90–3.19 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to six equivalent Pr and six equivalent Ni atoms to form NiPr6Ni6 cuboctahedra that share corners with twelve equivalent NiPr5Ni7 cuboctahedra, edges with six equivalent NiPr6Ni6 cuboctahedra, and faces with eighteen equivalent NiPr5Ni7 cuboctahedra. All Ni–Ni bond lengths are 2.59 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Ni atoms. There are three shorter (2.46 Å) and three longer (2.50 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded to five Pr and seven Ni atoms to form NiPr5Ni7 cuboctahedra that share corners with seventeen NiPr6Ni6 cuboctahedra, edges with eight equivalent NiPr5Ni7 cuboctahedra, and faces with fourteen NiPr6Ni6 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.52 Å) Ni–Ni bond lengths.

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Materials Data on Pr2Mn3CoGe4 by Materials Project

Pr2Mn3CoGe4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to six Mn, two equivalent Co, and eight Ge atoms. There are two shorter (3.38 Å) and four longer (3.41 Å) Pr–Mn bond lengths. Both Pr–Co bond lengths are 3.38 Å. There are four shorter (3.18 Å) and four longer (3.19 Å) Pr–Ge bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Pr and four equivalent Ge atoms to form MnPr4Ge4 tetrahedra that share corners with eight equivalent CoPr4Mn4Ge4 cuboctahedra, corners with four equivalent MnPr4Co4Ge4 tetrahedra, edges with six MnPr4Ge4 tetrahedra, and faces with four equivalent MnPr4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.45 Å. In the second Mn site, Mn is bonded to four equivalent Pr, four equivalent Co, and four equivalent Ge atoms to form distorted MnPr4Co4Ge4 tetrahedra that share corners with sixteen MnPr4Ge4 tetrahedra, edges with two equivalent MnPr4Ge4 tetrahedra, faces with four equivalent CoPr4Mn4Ge4 cuboctahedra, and faces with four equivalent MnPr4Co4Ge4 tetrahedra. All Mn–Co bond lengths are 2.87 Å. All Mn–Ge bond lengths are 2.43 Å. In the third Mn site, Mn is bonded to four equivalent Pr and four equivalent Ge atoms to form MnPr4Ge4 tetrahedra that share corners with four equivalent CoPr4Mn4Ge4 cuboctahedra, corners with eight equivalent MnPr4Co4Ge4 tetrahedra, edges with two equivalent CoPr4Mn4Ge4 cuboctahedra, edges with four equivalent MnPr4Ge4 tetrahedra, and faces with four equivalent MnPr4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.45 Å. Co is bonded to four equivalent Pr, four equivalent Mn, and four equivalent Ge atoms to form distorted CoPr4Mn4Ge4 cuboctahedra that share corners with four equivalent CoPr4Mn4Ge4 cuboctahedra, corners with twelve MnPr4Ge4 tetrahedra, edges with two equivalent MnPr4Ge4 tetrahedra, faces with four equivalent CoPr4Mn4Ge4 cuboctahedra, and faces with four equivalent MnPr4Co4Ge4 tetrahedra. All Co–Ge bond lengths are 2.43 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr, two equivalent Mn, two equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.75 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr, four Mn, and one Ge atom.

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Materials Data on Pr2Si3 by Materials Project

Pr2Si3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Pr–Si bond distances ranging from 3.06–3.25 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Pr–Si bond distances ranging from 3.10–3.23 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to six Pr and one Si atom. The Si–Si bond length is 2.35 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to six Pr and two equivalent Si atoms. Both Si–Si bond lengths are 2.41 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to six Pr and three Si atoms.

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Materials Data on Pr2Cr2Co15 by Materials Project

Pr2Cr2Co15 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pr is bonded in a 3-coordinate geometry to two equivalent Cr and seventeen Co atoms. Both Pr–Cr bond lengths are 3.29 Å. There are a spread of Pr–Co bond distances ranging from 3.01–3.26 Å. Cr is bonded in a 10-coordinate geometry to two equivalent Pr and ten Co atoms. There are a spread of Cr–Co bond distances ranging from 2.37–2.58 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two equivalent Pr, two equivalent Cr, and eight Co atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.67 Å. In the second Co site, Co is bonded in a 1-coordinate geometry to two equivalent Pr, one Cr, and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.65 Å. In the third Co site, Co is bonded to three equivalent Pr, two equivalent Cr, and seven Co atoms to form a mixture of distorted edge, face, and corner-sharing CoPr3Cr2Co7 cuboctahedra. There are two shorter (2.53 Å) and one longer (2.55 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to three equivalent Pr, one Cr, and eight Co atoms to form a mixture of distorted edge, face, and corner-sharing CoPr3CrCo8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.56 Å. In the fifth Co site, Co is bonded in a 4-coordinate geometry to one Pr, two equivalent Cr, and eleven Co atoms. There are one shorter (2.35 Å) and one longer (2.55 Å) Co–Co bond lengths. In the sixth Co site, Co is bonded to two equivalent Pr and ten Co atoms to form a mixture of distorted edge, face, and corner-sharing CoPr2Co10 cuboctahedra.

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Materials Data on Pr5Ge3C by Materials Project

Pr5Ge3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to six equivalent Ge atoms. All Pr–Ge bond lengths are 3.20 Å. In the second Pr site, Pr is bonded in a 2-coordinate geometry to five equivalent Ge and two equivalent C atoms. There are a spread of Pr–Ge bond distances ranging from 3.17–3.81 Å. Both Pr–C bond lengths are 2.62 Å. Ge is bonded in a 9-coordinate geometry to nine Pr atoms. C is bonded to six equivalent Pr atoms to form face-sharing CPr6 octahedra.

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