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At least 1,045 records · Page 58
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DOE OSTI2020

Materials Data on Pr3IrBr3 by Materials Project

Pr3IrBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent Ir and four equivalent Br atoms to form a mixture of edge and corner-sharing PrIr2Br4 octahedra. The corner-sharing octahedra tilt angles range from 6–8°. Both Pr–Ir bond lengths are 2.86 Å. There are two shorter (3.13 Å) and two longer (3.26 Å) Pr–Br bond lengths. Ir is bonded to six equivalent Pr atoms to form edge-sharing IrPr6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.

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DOE OSTI2020

Materials Data on CePrAl4 by Materials Project

PrCeAl4 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 Ce and twelve equivalent Al atoms. All Pr–Ce bond lengths are 3.47 Å. All Pr–Al bond lengths are 3.32 Å. Ce is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Al atoms. All Ce–Al bond lengths are 3.32 Å. Al is bonded to three equivalent Pr, three equivalent Ce, and six equivalent Al atoms to form a mixture of corner, edge, and face-sharing AlCe3Pr3Al6 cuboctahedra. There are three shorter (2.82 Å) and three longer (2.84 Å) Al–Al bond lengths.

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DOE OSTI2020

Materials Data on PrAlAu by Materials Project

PrAuAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Al atoms. There are a spread of Pr–Au bond distances ranging from 3.14–3.46 Å. There are a spread of Pr–Al bond distances ranging from 3.23–3.44 Å. Au is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Al atoms. There are a spread of Au–Al bond distances ranging from 2.69–2.83 Å. Al is bonded in a 4-coordinate geometry to six equivalent Pr and four equivalent Au atoms.

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DOE OSTI2020

Materials Data on Pm3Pr by Materials Project

Pm3Pr is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pm sites. In the first Pm site, Pm is bonded to eight Pm and four equivalent Pr atoms to form PmPm8Pr4 cuboctahedra that share corners with twelve equivalent PmPm8Pr4 cuboctahedra, edges with eight equivalent PrPm12 cuboctahedra, edges with sixteen PmPm8Pr4 cuboctahedra, faces with four equivalent PrPm12 cuboctahedra, and faces with fourteen PmPm8Pr4 cuboctahedra. There are four shorter (3.67 Å) and four longer (3.68 Å) Pm–Pm bond lengths. All Pm–Pr bond lengths are 3.68 Å. In the second Pm site, Pm is bonded to eight equivalent Pm and four equivalent Pr atoms to form PmPm8Pr4 cuboctahedra that share corners with four equivalent PmPm8Pr4 cuboctahedra, corners with eight equivalent PrPm12 cuboctahedra, edges with twenty-four PmPm8Pr4 cuboctahedra, faces with six equivalent PrPm12 cuboctahedra, and faces with twelve PmPm8Pr4 cuboctahedra. All Pm–Pr bond lengths are 3.67 Å. Pr is bonded to twelve Pm atoms to form PrPm12 cuboctahedra that share corners with four equivalent PrPm12 cuboctahedra, corners with eight equivalent PmPm8Pr4 cuboctahedra, edges with eight equivalent PrPm12 cuboctahedra, edges with sixteen equivalent PmPm8Pr4 cuboctahedra, faces with four equivalent PrPm12 cuboctahedra, and faces with fourteen PmPm8Pr4 cuboctahedra.

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DOE OSTI2020

Materials Data on LiPr2Ga by Materials Project

LiPr2Ga 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 3.26 Å. Pr is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ga atoms. All Pr–Ga bond lengths are 3.26 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAlZn by Materials Project

PrZnAl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Al atoms. There are a spread of Pr–Zn bond distances ranging from 3.12–3.42 Å. There are a spread of Pr–Al bond distances ranging from 3.18–3.41 Å. Zn is bonded in a 10-coordinate geometry to six equivalent Pr, one Zn, and three equivalent Al atoms. The Zn–Zn bond length is 2.68 Å. There are two shorter (2.68 Å) and one longer (2.96 Å) Zn–Al bond lengths. Al is bonded in a 10-coordinate geometry to six equivalent Pr, three equivalent Zn, and one Al atom. The Al–Al bond length is 2.63 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Pr by Materials Project

Tb3Pr is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Pr atoms to form TbTb8Pr4 cuboctahedra that share corners with twelve equivalent TbTb8Pr4 cuboctahedra, edges with eight equivalent PrTb12 cuboctahedra, edges with sixteen TbTb8Pr4 cuboctahedra, faces with four equivalent PrTb12 cuboctahedra, and faces with fourteen TbTb8Pr4 cuboctahedra. There are four shorter (3.60 Å) and four longer (3.61 Å) Tb–Tb bond lengths. All Tb–Pr bond lengths are 3.60 Å. In the second Tb site, Tb is bonded to eight equivalent Tb and four equivalent Pr atoms to form TbTb8Pr4 cuboctahedra that share corners with four equivalent TbTb8Pr4 cuboctahedra, corners with eight equivalent PrTb12 cuboctahedra, edges with twenty-four TbTb8Pr4 cuboctahedra, faces with six equivalent PrTb12 cuboctahedra, and faces with twelve TbTb8Pr4 cuboctahedra. All Tb–Pr bond lengths are 3.61 Å. Pr is bonded to twelve Tb atoms to form PrTb12 cuboctahedra that share corners with four equivalent PrTb12 cuboctahedra, corners with eight equivalent TbTb8Pr4 cuboctahedra, edges with eight equivalent PrTb12 cuboctahedra, edges with sixteen equivalent TbTb8Pr4 cuboctahedra, faces with four equivalent PrTb12 cuboctahedra, and faces with fourteen TbTb8Pr4 cuboctahedra.

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DOE OSTI2020

Materials Data on LiPr2Ir by Materials Project

LiPr2Ir 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 3.14 Å. Pr is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Pr–Ir bond lengths are 3.14 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrMgSn by Materials Project

PrMgSn crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg, four equivalent Pr, and four equivalent Sn atoms to form distorted MgPr4Mg4Sn4 cuboctahedra that share corners with four equivalent MgPr4Mg4Sn4 cuboctahedra, corners with four equivalent PrMg4Sn5 square pyramids, edges with eight equivalent PrMg4Sn5 square pyramids, faces with eight equivalent MgPr4Mg4Sn4 cuboctahedra, and faces with four equivalent PrMg4Sn5 square pyramids. All Mg–Mg bond lengths are 3.22 Å. All Mg–Pr bond lengths are 3.50 Å. All Mg–Sn bond lengths are 3.13 Å. Pr is bonded to four equivalent Mg and five equivalent Sn atoms to form distorted PrMg4Sn5 square pyramids that share corners with four equivalent MgPr4Mg4Sn4 cuboctahedra, corners with eight equivalent PrMg4Sn5 square pyramids, edges with eight equivalent MgPr4Mg4Sn4 cuboctahedra, edges with four equivalent PrMg4Sn5 square pyramids, faces with four equivalent MgPr4Mg4Sn4 cuboctahedra, and faces with five equivalent PrMg4Sn5 square pyramids. There are four shorter (3.25 Å) and one longer (3.33 Å) Pr–Sn bond lengths. Sn is bonded in a 9-coordinate geometry to four equivalent Mg and five equivalent Pr atoms.

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DOE OSTI2020

Materials Data on PrNiBi by Materials Project

PrNiBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Bi atoms. All Pr–Ni bond lengths are 2.88 Å. All Pr–Bi bond lengths are 3.33 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.88 Å. Bi is bonded in a distorted q6 geometry to six equivalent Pr and four equivalent Ni atoms.

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DOE OSTI2020

Materials Data on Pr2ZnIn by Materials Project

Pr2ZnIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent In atoms. All Pr–Zn bond lengths are 3.49 Å. All Pr–In bond lengths are 3.49 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. In is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiPr2Al by Materials Project

LiPr2Al 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 3.28 Å. Pr is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Al atoms. All Pr–Al bond lengths are 3.28 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3PBr3 by Materials Project

Pr3PBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent P and four equivalent Br atoms to form a mixture of edge and corner-sharing PrP2Br4 octahedra. The corner-sharing octahedra tilt angles range from 4–8°. Both Pr–P bond lengths are 2.84 Å. There are two shorter (3.09 Å) and two longer (3.16 Å) Pr–Br bond lengths. P is bonded to six equivalent Pr atoms to form edge-sharing PPr6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr12Ni6Pb by Materials Project

Pr12Ni6Pb crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Pr is bonded in a 3-coordinate geometry to four equivalent Ni and one Pb atom. There are a spread of Pr–Ni bond distances ranging from 2.78–3.76 Å. The Pr–Pb bond length is 3.71 Å. Ni is bonded in a 2-coordinate geometry to eight equivalent Pr and one Ni atom. The Ni–Ni bond length is 2.40 Å. Pb is bonded in a cuboctahedral geometry to twelve equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrGeRh by Materials Project

PrRhGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Rh and six equivalent Ge atoms. There are a spread of Pr–Rh bond distances ranging from 3.02–3.37 Å. There are a spread of Pr–Ge bond distances ranging from 3.14–3.23 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.60–2.76 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Rh atoms.

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DOE OSTI2020

Materials Data on Pr3Sn13Ir4 by Materials Project

Pr3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All Pr–Ir bond lengths are 3.48 Å. All Pr–Sn bond lengths are 3.46 Å. Ir is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.70 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Pr, two equivalent Ir, and one Sn atom. The Sn–Sn bond length is 3.36 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

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DOE OSTI2020

Materials Data on PrSnAu by Materials Project

PrAuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to six equivalent Au and six equivalent Sn atoms to form a mixture of edge and face-sharing PrSn6Au6 cuboctahedra. All Pr–Au bond lengths are 3.40 Å. All Pr–Sn bond lengths are 3.40 Å. Au is bonded in a 3-coordinate geometry to six equivalent Pr and three equivalent Sn atoms. All Au–Sn bond lengths are 2.74 Å. Sn is bonded in a distorted trigonal planar geometry to six equivalent Pr and three equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrDy3 by Materials Project

Dy3Pr is alpha La-derived structured and crystallizes in the tetragonal I4/mmm 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 twelve equivalent DyPr4Dy8 cuboctahedra, edges with eight equivalent PrDy12 cuboctahedra, edges with sixteen DyPr4Dy8 cuboctahedra, faces with four equivalent PrDy12 cuboctahedra, and faces with fourteen DyPr4Dy8 cuboctahedra. There are four shorter (3.58 Å) and four longer (3.60 Å) Dy–Dy bond lengths. All Dy–Pr bond lengths are 3.58 Å. 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 DyPr4Dy8 cuboctahedra, corners with eight equivalent PrDy12 cuboctahedra, edges with twenty-four DyPr4Dy8 cuboctahedra, faces with six equivalent PrDy12 cuboctahedra, and faces with twelve DyPr4Dy8 cuboctahedra. All Dy–Pr bond lengths are 3.60 Å. Pr is bonded to twelve Dy atoms to form PrDy12 cuboctahedra that share corners with four equivalent PrDy12 cuboctahedra, corners with eight equivalent DyPr4Dy8 cuboctahedra, edges with eight equivalent PrDy12 cuboctahedra, edges with sixteen equivalent DyPr4Dy8 cuboctahedra, faces with four equivalent PrDy12 cuboctahedra, and faces with fourteen DyPr4Dy8 cuboctahedra.

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