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At least 1,081 records · Page 60
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DOE OSTI2020

Materials Data on TbPrMn4 by Materials Project

TbPrMn4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Mn atoms. All Tb–Pr bond lengths are 3.20 Å. All Tb–Mn bond lengths are 3.06 Å. Pr is bonded in a 12-coordinate geometry to four equivalent Tb and twelve equivalent Mn atoms. All Pr–Mn bond lengths are 3.07 Å. Mn is bonded to three equivalent Tb, three equivalent Pr, and six equivalent Mn atoms to form a mixture of edge, face, and corner-sharing MnTb3Pr3Mn6 cuboctahedra. There are three shorter (2.59 Å) and three longer (2.65 Å) Mn–Mn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSiIr by Materials Project

PrIrSi crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to four equivalent Ir and four equivalent Si atoms. There are three shorter (3.14 Å) and one longer (3.40 Å) Pr–Ir bond lengths. There are one shorter (3.17 Å) and three longer (3.24 Å) Pr–Si bond lengths. Ir is bonded in a 3-coordinate geometry to four equivalent Pr and three equivalent Si atoms. All Ir–Si bond lengths are 2.34 Å. Si is bonded in a 3-coordinate geometry to four equivalent Pr and three equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrGaPd2 by Materials Project

PrPd2Ga crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to ten equivalent Pd and three equivalent Ga atoms. There are a spread of Pr–Pd bond distances ranging from 3.10–3.73 Å. There are a spread of Pr–Ga bond distances ranging from 3.13–3.18 Å. Pd is bonded in a 12-coordinate geometry to five equivalent Pr, four equivalent Pd, and three equivalent Ga atoms. There are a spread of Pd–Pd bond distances ranging from 2.82–3.21 Å. There are a spread of Pd–Ga bond distances ranging from 2.59–2.69 Å. Ga is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrBiPd by Materials Project

PrPdBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pr is bonded to four equivalent Pd and six equivalent Bi atoms to form a mixture of distorted corner and face-sharing PrBi6Pd4 tetrahedra. All Pr–Pd bond lengths are 2.99 Å. All Pr–Bi bond lengths are 3.45 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.99 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrCdIn by Materials Project

PrCdIn crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Cd and six equivalent In atoms. There are three shorter (3.31 Å) and three longer (3.54 Å) Pr–Cd bond lengths. There are three shorter (3.31 Å) and three longer (3.77 Å) Pr–In bond lengths. Cd is bonded in a 10-coordinate geometry to six equivalent Pr, three equivalent Cd, and one In atom. All Cd–Cd bond lengths are 2.90 Å. The Cd–In bond length is 3.30 Å. In is bonded in a 10-coordinate geometry to six equivalent Pr, one Cd, and three equivalent In atoms. All In–In bond lengths are 2.98 Å.

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DOE OSTI2020

Materials Data on LaPrAl4 by Materials Project

PrLaAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent La and twelve equivalent Al atoms. All Pr–La bond lengths are 3.52 Å. All Pr–Al bond lengths are 3.37 Å. La is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Al atoms. All La–Al bond lengths are 3.37 Å. Al is bonded to three equivalent Pr, three equivalent La, and six equivalent Al atoms to form a mixture of corner, edge, and face-sharing AlLa3Pr3Al6 cuboctahedra. All Al–Al bond lengths are 2.87 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3IrI3 by Materials Project

Pr3IrI3 is Ilmenite-like structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent Ir and four equivalent I atoms to form a mixture of distorted edge and corner-sharing PrIr2I4 octahedra. The corner-sharing octahedra tilt angles range from 8–12°. Both Pr–Ir bond lengths are 2.90 Å. There are two shorter (3.30 Å) and two longer (3.45 Å) Pr–I bond lengths. Ir is bonded to six equivalent Pr atoms to form edge-sharing IrPr6 octahedra. I is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr6Mn23 by Materials Project

Pr6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Pr–Mn bond distances ranging from 2.98–3.14 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent Pr and nine Mn atoms to form MnPr3Mn9 cuboctahedra that share corners with twelve MnPr3Mn9 cuboctahedra and faces with twelve MnPr4Mn8 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.38–2.65 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.54 Å. In the third Mn site, Mn is bonded to four equivalent Pr and eight Mn atoms to form a mixture of corner and face-sharing MnPr4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.68 Å. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Pr and ten Mn atoms. All Mn–Mn bond lengths are 2.93 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Co4Sn13 by Materials Project

Pr3Co4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Co and twelve equivalent Sn atoms. All Pr–Co bond lengths are 3.42 Å. There are four shorter (3.35 Å) and eight longer (3.44 Å) Pr–Sn bond lengths. Co is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Sn atoms. All Co–Sn bond lengths are 2.63 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three equivalent Pr, two equivalent Co, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.04–3.29 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

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Materials Data on PrGaPt by Materials Project

PrPtGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to five equivalent Pt and six equivalent Ga atoms. There are a spread of Pr–Pt bond distances ranging from 2.98–3.23 Å. There are a spread of Pr–Ga bond distances ranging from 3.15–3.36 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Pr and four equivalent Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.70–2.73 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Pt atoms.

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DOE OSTI2020

Materials Data on PrDy3 by Materials Project

Dy3Pr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Pr atoms to form DyPr4Dy8 cuboctahedra that share corners with four equivalent PrDy12 cuboctahedra, corners with fourteen DyPr4Dy8 cuboctahedra, edges with six equivalent PrDy12 cuboctahedra, edges with twelve DyPr4Dy8 cuboctahedra, faces with four equivalent PrDy12 cuboctahedra, and faces with sixteen DyPr4Dy8 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.57–3.67 Å. There are two shorter (3.59 Å) and two longer (3.64 Å) Dy–Pr bond lengths. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Pr atoms to form DyPr4Dy8 cuboctahedra that share corners with four equivalent PrDy12 cuboctahedra, corners with fourteen DyPr4Dy8 cuboctahedra, edges with six equivalent PrDy12 cuboctahedra, edges with twelve equivalent DyPr4Dy8 cuboctahedra, faces with four equivalent PrDy12 cuboctahedra, and faces with sixteen DyPr4Dy8 cuboctahedra. There are two shorter (3.59 Å) and two longer (3.64 Å) Dy–Pr bond lengths. Pr is bonded to twelve Dy atoms to form PrDy12 cuboctahedra that share corners with six equivalent PrDy12 cuboctahedra, corners with twelve DyPr4Dy8 cuboctahedra, edges with eighteen DyPr4Dy8 cuboctahedra, faces with eight equivalent PrDy12 cuboctahedra, and faces with twelve DyPr4Dy8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrYAl4 by Materials Project

PrYAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Al atoms. All Pr–Y bond lengths are 3.46 Å. All Pr–Al bond lengths are 3.31 Å. Y is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Al atoms. All Y–Al bond lengths are 3.31 Å. Al is bonded to three equivalent Pr, three equivalent Y, and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlPr3Y3Al6 cuboctahedra. There are three shorter (2.82 Å) and three longer (2.83 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Pr by Materials Project

K3Pr is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to eight K and four equivalent Pr atoms to form KK8Pr4 cuboctahedra that share corners with twelve equivalent KK8Pr4 cuboctahedra, edges with eight equivalent KK8Pr4 cuboctahedra, edges with eight equivalent PrK12 cuboctahedra, faces with four equivalent PrK12 cuboctahedra, and faces with ten equivalent KK8Pr4 cuboctahedra. There are four shorter (4.12 Å) and four longer (4.46 Å) K–K bond lengths. All K–Pr bond lengths are 4.46 Å. In the second K site, K is bonded in a distorted square co-planar geometry to eight equivalent K and four equivalent Pr atoms. All K–Pr bond lengths are 4.12 Å. Pr is bonded to twelve K atoms to form PrK12 cuboctahedra that share corners with four equivalent PrK12 cuboctahedra, edges with eight equivalent PrK12 cuboctahedra, edges with sixteen equivalent KK8Pr4 cuboctahedra, faces with four equivalent PrK12 cuboctahedra, and faces with eight equivalent KK8Pr4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrYNi4 by Materials Project

PrYNi4 is Cubic Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Ni atoms. All Pr–Y bond lengths are 3.16 Å. All Pr–Ni bond lengths are 3.03 Å. Y is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Ni atoms. All Y–Ni bond lengths are 3.02 Å. Ni is bonded to three equivalent Pr, three equivalent Y, and six equivalent Ni atoms to form a mixture of edge, corner, and face-sharing NiPr3Y3Ni6 cuboctahedra. There are three shorter (2.57 Å) and three longer (2.58 Å) Ni–Ni bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiPr2Rh by Materials Project

LiPr2Rh is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. All Li–Pr bond lengths are 3.15 Å. Pr is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms. All Pr–Rh bond lengths are 3.15 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2GaNi2 by Materials Project

Pr2Ni2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Ga atoms. There are two shorter (2.95 Å) and four longer (3.05 Å) Pr–Ni bond lengths. There are two shorter (3.25 Å) and two longer (3.34 Å) Pr–Ga bond lengths. Ni is bonded in a 10-coordinate geometry to six equivalent Pr, one Ni, and two equivalent Ga atoms. The Ni–Ni bond length is 2.56 Å. Both Ni–Ga bond lengths are 2.59 Å. Ga is bonded to eight equivalent Pr and four equivalent Ni atoms to form a mixture of edge and face-sharing GaPr8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrNiGe by Materials Project

PrNiGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to four equivalent Ni and six equivalent Ge atoms. There are a spread of Pr–Ni bond distances ranging from 2.96–3.16 Å. There are a spread of Pr–Ge bond distances ranging from 3.09–3.29 Å. Ni is bonded in a 10-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. There are three shorter (2.54 Å) and one longer (2.70 Å) Ni–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3CBr3 by Materials Project

Pr3CBr3 is Ilmenite-like structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent C and four equivalent Br atoms to form a mixture of distorted edge and corner-sharing PrC2Br4 octahedra. The corner-sharing octahedra tilt angles range from 7–12°. Both Pr–C bond lengths are 2.66 Å. There are two shorter (3.03 Å) and two longer (3.15 Å) Pr–Br bond lengths. C is bonded to six equivalent Pr atoms to form edge-sharing CPr6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.

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