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Materials Data on PrMnNi4 by Materials Project

PrMnNi4 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to three equivalent Mn and fifteen Ni atoms. All Pr–Mn bond lengths are 2.91 Å. There are three shorter (2.91 Å) and twelve longer (3.21 Å) Pr–Ni bond lengths. Mn is bonded to three equivalent Pr and nine Ni atoms to form distorted MnPr3Ni9 cuboctahedra that share corners with twenty-one NiPr3Mn3Ni6 cuboctahedra, edges with six equivalent MnPr3Ni9 cuboctahedra, faces with two equivalent MnPr3Ni9 cuboctahedra, and faces with twenty-one NiPr3Mn3Ni6 cuboctahedra. There are six shorter (2.47 Å) and three longer (2.91 Å) Mn–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Pr, three equivalent Mn, and six equivalent Ni atoms to form NiPr3Mn3Ni6 cuboctahedra that share corners with nine equivalent MnPr3Ni9 cuboctahedra, corners with twelve equivalent NiPr4Mn2Ni6 cuboctahedra, edges with six equivalent NiPr3Mn3Ni6 cuboctahedra, faces with three equivalent MnPr3Ni9 cuboctahedra, and faces with twenty NiPr3Mn3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.46 Å. In the second Ni site, Ni is bonded to four equivalent Pr, two equivalent Mn, and six Ni atoms to form distorted NiPr4Mn2Ni6 cuboctahedra that share corners with four equivalent MnPr3Ni9 cuboctahedra, corners with twenty NiPr3Mn3Ni6 cuboctahedra, edges with ten equivalent NiPr4Mn2Ni6 cuboctahedra, faces with six equivalent MnPr3Ni9 cuboctahedra, and faces with sixteen NiPr3Mn3Ni6 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.55 Å) Ni–Ni bond lengths.

36 MATERIALS SCIENCE↗
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Materials Data on PrGa3Pt by Materials Project

PrPtGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Pt and twelve Ga atoms. All Pr–Pt bond lengths are 3.44 Å. There are eight shorter (3.25 Å) and four longer (3.44 Å) Pr–Ga bond lengths. Pt is bonded to four equivalent Pr and eight Ga atoms to form distorted PtPr4Ga8 cuboctahedra that share corners with four equivalent GaPr4Ga4Pt4 cuboctahedra, corners with twelve equivalent PtPr4Ga8 cuboctahedra, edges with two equivalent GaPr4Ga4Pt4 cuboctahedra, faces with four equivalent PtPr4Ga8 cuboctahedra, and faces with four equivalent GaPr4Ga4Pt4 cuboctahedra. There are four shorter (2.58 Å) and four longer (3.00 Å) Pt–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to four equivalent Pr, two equivalent Pt, and three Ga atoms. There are one shorter (2.50 Å) and two longer (2.58 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Pr, four equivalent Pt, and four equivalent Ga atoms to form GaPr4Ga4Pt4 cuboctahedra that share corners with four equivalent PtPr4Ga8 cuboctahedra, corners with twelve equivalent GaPr4Ga4Pt4 cuboctahedra, edges with two equivalent PtPr4Ga8 cuboctahedra, faces with four equivalent PtPr4Ga8 cuboctahedra, and faces with four equivalent GaPr4Ga4Pt4 cuboctahedra.

36 MATERIALS SCIENCE↗
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Materials Data on Pr9Ga5Se21 by Materials Project

Pr9Ga5Se21 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are six inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Pr–Se bond distances ranging from 3.01–3.17 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pr–Se bond distances ranging from 2.98–3.37 Å. In the third Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Pr–Se bond distances ranging from 2.97–3.27 Å. In the fourth Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Pr–Se bond distances ranging from 2.98–3.21 Å. In the fifth Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pr–Se bond distances ranging from 2.99–3.36 Å. In the sixth Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Pr–Se bond distances ranging from 3.00–3.29 Å. There are six inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ga–Se bond distances ranging from 2.39–2.44 Å. In the second Ga3+ site, Ga3+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ga–Se bond distances ranging from 2.39–2.44 Å. In the third Ga3+ site, Ga3+ is bonded in an octahedral geometry to six Se2- atoms. There are three shorter (2.64 Å) and three longer (2.73 Å) Ga–Se bond lengths. In the fourth Ga3+ site, Ga3+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are three shorter (2.46 Å) and three longer (3.06 Å) Ga–Se bond lengths. In the fifth Ga3+ site, Ga3+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are three shorter (2.45 Å) and three longer (3.09 Å) Ga–Se bond lengths. In the sixth Ga3+ site, Ga3+ is bonded in an octahedral geometry to six Se2- atoms. There are three shorter (2.65 Å) and three longer (2.72 Å) Ga–Se bond lengths. There are fourteen inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four Pr3+ and one Ga3+ atom. In the second Se2- site, Se2- is bonded to three Pr3+ and two Ga3+ atoms to form distorted SePr3Ga2 square pyramids that share corners with three SePr3Ga tetrahedra, a cornercorner with one SePr3Ga trigonal pyramid, edges with two equivalent SePr3Ga trigonal pyramids, and faces with two equivalent SePr3Ga2 square pyramids. In the third Se2- site, Se2- is bonded to three Pr3+ and one Ga3+ atom to form distorted SePr3Ga trigonal pyramids that share a cornercorner with one SePr3Ga2 square pyramid, corners with three SePr3Ga tetrahedra, edges with two equivalent SePr3Ga2 square pyramids, and edges with two equivalent SePr3Ga trigonal pyramids. In the fourth Se2- site, Se2- is bonded to three Pr3+ and two Ga3+ atoms to form distorted SePr3Ga2 square pyramids that share corners with three SePr3Ga tetrahedra, a cornercorner with one SePr3Ga trigonal pyramid, edges with two equivalent SePr3Ga trigonal pyramids, and faces with two equivalent SePr3Ga2 square pyramids. In the fifth Se2- site, Se2- is bonded to three Pr3+ and one Ga3+ atom to form distorted SePr3Ga trigonal pyramids that share a cornercorner with one SePr3Ga2 square pyramid, corners with three SePr3Ga tetrahedra, edges with two equivalent SePr3Ga2 square pyramids, and edges with two equivalent SePr3Ga trigonal pyramids. In the sixth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Pr3+ and one Ga3+ atom. In the seventh Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Pr3+ and one Ga3+ atom. In the eighth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Pr3+ and one Ga3+ atom. In the ninth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Pr3+ and one Ga3+ atom. In the tenth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Pr3+ and one Ga3+ atom. In the eleventh Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Pr3+ and one Ga3+ atom. In the twelfth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Pr3+ and one Ga3+ atom. In the thirteenth Se2- site, Se2- is bonded to three Pr3+ and one Ga3+ atom to form distorted SePr3Ga tetrahedra that share corners with three SePr3Ga2 square pyramids and corners with three SePr3Ga trigonal pyramids. In the fourteenth Se2- site, Se2- is bonded to three Pr3+ and one Ga3+ atom to form distorted SePr3Ga tetrahedra that share corners with three SePr3Ga2 square pyramids and corners with three SePr3Ga trigonal pyramids.

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Materials Data on PrIClO13 by Materials Project

PrO7IO2ClO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four oxygen molecules; four ClO4 clusters; and one PrO7I sheet oriented in the (0, 0, 1) direction. In each ClO4 cluster, there are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.48 Å. In the fourth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.48 Å. Cl is bonded in a tetrahedral geometry to four O atoms. In the PrO7I sheet, Pr is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Pr–O bond distances ranging from 2.25–2.73 Å. There are seven 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 1.79 Å. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a water-like geometry to two equivalent I atoms. There are one shorter (1.99 Å) and one longer (2.05 Å) O–I bond lengths. In the fourth O site, O is bonded in a water-like geometry to one Pr and one O atom. 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 1.88 Å. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pr and one I atom. The O–I bond length is 1.94 Å. In the seventh O site, O is bonded in a trigonal planar geometry to two equivalent Pr and one I atom. The O–I bond length is 1.93 Å. I is bonded to six O atoms to form edge-sharing IO6 octahedra.

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Materials Data on LiPr3 by Materials Project

LiPr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent Pr atoms to form LiPr12 cuboctahedra that share corners with twelve equivalent LiPr12 cuboctahedra, edges with twenty-four equivalent PrLi4Pr8 cuboctahedra, faces with six equivalent LiPr12 cuboctahedra, and faces with twelve equivalent PrLi4Pr8 cuboctahedra. All Li–Pr bond lengths are 3.58 Å. Pr is bonded to four equivalent Li and eight equivalent Pr atoms to form PrLi4Pr8 cuboctahedra that share corners with twelve equivalent PrLi4Pr8 cuboctahedra, edges with eight equivalent LiPr12 cuboctahedra, edges with sixteen equivalent PrLi4Pr8 cuboctahedra, faces with four equivalent LiPr12 cuboctahedra, and faces with fourteen equivalent PrLi4Pr8 cuboctahedra. All Pr–Pr bond lengths are 3.58 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Pr2Co17 by Materials Project

Pr2Co17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Pr–Co bond distances ranging from 3.03–3.25 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Pr and ten Co atoms to form CoPr2Co10 cuboctahedra that share corners with fourteen CoPr2Co10 cuboctahedra, edges with six equivalent CoPr3Co9 cuboctahedra, and faces with ten CoPr2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.58 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Pr and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.66 Å. In the third Co site, Co is bonded to three equivalent Pr and nine Co atoms to form a mixture of face, edge, and corner-sharing CoPr3Co9 cuboctahedra. There are two shorter (2.47 Å) and one longer (2.59 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded in a 2-coordinate geometry to one Pr and thirteen Co atoms. The Co–Co bond length is 2.34 Å.

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Materials Data on PrCdAu by Materials Project

PrAuCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Au and six equivalent Cd atoms. There are four shorter (3.16 Å) and one longer (3.27 Å) Pr–Au bond lengths. There are two shorter (3.37 Å) and four longer (3.51 Å) Pr–Cd bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Cd atoms. All Au–Cd bond lengths are 2.88 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Cd atoms. All Au–Cd bond lengths are 3.03 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Pr and four Au atoms.

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Materials Data on Ca3Pr2Sb3O14 by Materials Project

Ca3Pr2Sb3O14 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with six SbO6 octahedra. The corner-sharing octahedra tilt angles range from 57–58°. There are two shorter (2.31 Å) and four longer (2.33 Å) Ca–O bond lengths. In the second Ca2+ site, Ca2+ is bonded to eight O2- atoms to form CaO8 hexagonal bipyramids that share edges with six SbO6 octahedra. There are a spread of Ca–O bond distances ranging from 2.25–2.64 Å. In the third Ca2+ site, Ca2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.34–2.86 Å. Pr+3.50+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.34–2.82 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent CaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 42–58°. There are two shorter (1.97 Å) and four longer (2.04 Å) Sb–O bond lengths. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four SbO6 octahedra, and edges with two equivalent CaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 41–57°. There are a spread of Sb–O bond distances ranging from 1.97–2.04 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Ca2+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded to two Ca2+ and two equivalent Pr+3.50+ atoms to form OCa2Pr2 tetrahedra that share corners with ten OCa2Pr2 tetrahedra and edges with three OCa2PrSb tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Pr+3.50+, and two Sb5+ atoms. In the fourth O2- site, O2- is bonded to two Ca2+, one Pr+3.50+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OCa2PrSb tetrahedra. In the fifth O2- site, O2- is bonded to one Ca2+, two equivalent Pr+3.50+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OCaPr2Sb tetrahedra.

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Materials Data on PrClO2 by Materials Project

PrO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to six O and three equivalent Cl atoms. There are a spread of Pr–O bond distances ranging from 2.40–2.54 Å. There are two shorter (2.93 Å) and one longer (2.98 Å) Pr–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Pr atoms. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Pr atoms. Cl is bonded in a trigonal non-coplanar geometry to three equivalent Pr atoms.

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Materials Data on KPr(ClO)4 by Materials Project

KPr(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to four O and four equivalent Cl atoms. There are two shorter (3.13 Å) and two longer (3.19 Å) K–O bond lengths. There are two shorter (3.10 Å) and two longer (3.59 Å) K–Cl bond lengths. Pr is bonded in a 6-coordinate geometry to two equivalent O and four Cl atoms. Both Pr–O bond lengths are 2.42 Å. There are two shorter (2.72 Å) and two longer (2.98 Å) Pr–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one K and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to one K, one Pr, and one Cl atom. The O–Cl bond length is 1.68 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted water-like geometry to one Pr and one O atom. In the second Cl site, Cl is bonded in a distorted trigonal planar geometry to two equivalent K and one Pr atom.

36 MATERIALS SCIENCE↗
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Materials Data on Pr4FeAs4Ru3O4 by Materials Project

Pr4Ru3FeAs4O4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four O2- atoms. All Pr–As bond lengths are 3.37 Å. There are two shorter (2.37 Å) and two longer (2.39 Å) Pr–O bond lengths. In the second Pr3+ site, Pr3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four O2- atoms. All Pr–As bond lengths are 3.43 Å. There are two shorter (2.37 Å) and two longer (2.38 Å) Pr–O bond lengths. In the third Pr3+ site, Pr3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four O2- atoms. All Pr–As bond lengths are 3.43 Å. There are two shorter (2.37 Å) and two longer (2.38 Å) Pr–O bond lengths. There are two inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing RuAs4 tetrahedra. All Ru–As bond lengths are 2.45 Å. In the second Ru2+ site, Ru2+ is bonded to four equivalent As3- atoms to form RuAs4 tetrahedra that share corners with four equivalent RuAs4 tetrahedra and edges with four equivalent FeAs4 tetrahedra. All Ru–As bond lengths are 2.54 Å. Fe2+ is bonded to four equivalent As3- atoms to form FeAs4 tetrahedra that share corners with four equivalent FeAs4 tetrahedra and edges with four equivalent RuAs4 tetrahedra. All Fe–As bond lengths are 2.54 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 2-coordinate geometry to four equivalent Pr3+, two equivalent Ru2+, and two equivalent Fe2+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent Ru2+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pr3+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra. In the second O2- site, O2- is bonded to four Pr3+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra.

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Materials Data on NaPr3 by Materials Project

NaPr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent Pr atoms to form NaPr12 cuboctahedra that share corners with twelve equivalent NaPr12 cuboctahedra, edges with twenty-four equivalent PrNa4Pr8 cuboctahedra, faces with six equivalent NaPr12 cuboctahedra, and faces with twelve equivalent PrNa4Pr8 cuboctahedra. All Na–Pr bond lengths are 3.68 Å. Pr is bonded to four equivalent Na and eight equivalent Pr atoms to form PrNa4Pr8 cuboctahedra that share corners with twelve equivalent PrNa4Pr8 cuboctahedra, edges with eight equivalent NaPr12 cuboctahedra, edges with sixteen equivalent PrNa4Pr8 cuboctahedra, faces with four equivalent NaPr12 cuboctahedra, and faces with fourteen equivalent PrNa4Pr8 cuboctahedra. All Pr–Pr bond lengths are 3.68 Å.

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Materials Data on Pr3Gd by Materials Project

GdPr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded to twelve equivalent Pr atoms to form GdPr12 cuboctahedra that share corners with six equivalent GdPr12 cuboctahedra, corners with twelve equivalent PrPr8Gd4 cuboctahedra, edges with eighteen equivalent PrPr8Gd4 cuboctahedra, faces with eight equivalent GdPr12 cuboctahedra, and faces with twelve equivalent PrPr8Gd4 cuboctahedra. There are six shorter (3.69 Å) and six longer (3.71 Å) Gd–Pr bond lengths. Pr is bonded to four equivalent Gd and eight equivalent Pr atoms to form PrPr8Gd4 cuboctahedra that share corners with four equivalent GdPr12 cuboctahedra, corners with fourteen equivalent PrPr8Gd4 cuboctahedra, edges with six equivalent GdPr12 cuboctahedra, edges with twelve equivalent PrPr8Gd4 cuboctahedra, faces with four equivalent GdPr12 cuboctahedra, and faces with sixteen equivalent PrPr8Gd4 cuboctahedra. There are two shorter (3.68 Å) and six longer (3.70 Å) Pr–Pr bond lengths.

36 MATERIALS SCIENCE↗
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Materials Data on PrSm by Materials Project

SmPr is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sm is bonded to six equivalent Sm and six equivalent Pr atoms to form SmPr6Sm6 cuboctahedra that share corners with eighteen equivalent SmPr6Sm6 cuboctahedra, edges with six equivalent SmPr6Sm6 cuboctahedra, edges with twelve equivalent PrPr6Sm6 cuboctahedra, faces with eight equivalent SmPr6Sm6 cuboctahedra, and faces with twelve equivalent PrPr6Sm6 cuboctahedra. All Sm–Sm bond lengths are 3.68 Å. All Sm–Pr bond lengths are 3.70 Å. Pr is bonded to six equivalent Sm and six equivalent Pr atoms to form PrPr6Sm6 cuboctahedra that share corners with eighteen equivalent PrPr6Sm6 cuboctahedra, edges with six equivalent PrPr6Sm6 cuboctahedra, edges with twelve equivalent SmPr6Sm6 cuboctahedra, faces with eight equivalent PrPr6Sm6 cuboctahedra, and faces with twelve equivalent SmPr6Sm6 cuboctahedra. All Pr–Pr bond lengths are 3.68 Å.

36 MATERIALS SCIENCE↗
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Materials Data on PrGa3Pd by Materials Project

PrPdGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Pd and twelve Ga atoms. All Pr–Pd bond lengths are 3.45 Å. There are eight shorter (3.26 Å) and four longer (3.45 Å) Pr–Ga bond lengths. Pd is bonded to four equivalent Pr and eight Ga atoms to form distorted PdPr4Ga8 cuboctahedra that share corners with four equivalent GaPr4Ga4Pd4 cuboctahedra, corners with twelve equivalent PdPr4Ga8 cuboctahedra, edges with two equivalent GaPr4Ga4Pd4 cuboctahedra, faces with four equivalent PdPr4Ga8 cuboctahedra, and faces with four equivalent GaPr4Ga4Pd4 cuboctahedra. There are four shorter (2.58 Å) and four longer (3.01 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to four equivalent Pr, two equivalent Pd, and three Ga atoms. There are one shorter (2.50 Å) and two longer (2.58 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Pr, four equivalent Pd, and four equivalent Ga atoms to form GaPr4Ga4Pd4 cuboctahedra that share corners with four equivalent PdPr4Ga8 cuboctahedra, corners with twelve equivalent GaPr4Ga4Pd4 cuboctahedra, edges with two equivalent PdPr4Ga8 cuboctahedra, faces with four equivalent PdPr4Ga8 cuboctahedra, and faces with four equivalent GaPr4Ga4Pd4 cuboctahedra.

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Materials Data on Pr3Ti by Materials Project

Pr3Ti is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to eight equivalent Pr and four equivalent Ti atoms to form distorted PrPr8Ti4 cuboctahedra that share corners with twelve equivalent PrPr8Ti4 cuboctahedra, edges with eight equivalent TiPr12 cuboctahedra, edges with sixteen equivalent PrPr8Ti4 cuboctahedra, faces with four equivalent TiPr12 cuboctahedra, and faces with fourteen equivalent PrPr8Ti4 cuboctahedra. All Pr–Pr bond lengths are 3.51 Å. All Pr–Ti bond lengths are 3.51 Å. Ti is bonded to twelve equivalent Pr atoms to form TiPr12 cuboctahedra that share corners with twelve equivalent TiPr12 cuboctahedra, edges with twenty-four equivalent PrPr8Ti4 cuboctahedra, faces with six equivalent TiPr12 cuboctahedra, and faces with twelve equivalent PrPr8Ti4 cuboctahedra.

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Materials Data on Pr3Dy by Materials Project

DyPr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Pr atoms to form DyPr12 cuboctahedra that share corners with twelve equivalent DyPr12 cuboctahedra, edges with twenty-four equivalent PrPr8Dy4 cuboctahedra, faces with six equivalent DyPr12 cuboctahedra, and faces with twelve equivalent PrPr8Dy4 cuboctahedra. All Dy–Pr bond lengths are 3.67 Å. Pr is bonded to four equivalent Dy and eight equivalent Pr atoms to form PrPr8Dy4 cuboctahedra that share corners with twelve equivalent PrPr8Dy4 cuboctahedra, edges with eight equivalent DyPr12 cuboctahedra, edges with sixteen equivalent PrPr8Dy4 cuboctahedra, faces with four equivalent DyPr12 cuboctahedra, and faces with fourteen equivalent PrPr8Dy4 cuboctahedra. All Pr–Pr bond lengths are 3.67 Å.

36 MATERIALS SCIENCE↗
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Materials Data on PrPb2 by Materials Project

PrPb2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two PrPb2 sheets oriented in the (0, 0, 1) direction. Pr is bonded to four equivalent Pr and eight equivalent Pb atoms to form a mixture of face and corner-sharing PrPr4Pb8 cuboctahedra. All Pr–Pr bond lengths are 3.37 Å. All Pr–Pb bond lengths are 3.59 Å. Pb is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Pb atoms. All Pb–Pb bond lengths are 3.37 Å.

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