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At least 937 records · Page 52
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DOE OSTI2020

Materials Data on Pr3InN by Materials Project

Pr3InN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Pr–In bond lengths are 3.60 Å. Both Pr–N bond lengths are 2.54 Å. In is bonded to twelve equivalent Pr atoms to form InPr12 cuboctahedra that share corners with twelve equivalent InPr12 cuboctahedra, faces with six equivalent InPr12 cuboctahedra, and faces with eight equivalent NPr6 octahedra. N is bonded to six equivalent Pr atoms to form NPr6 octahedra that share corners with six equivalent NPr6 octahedra and faces with eight equivalent InPr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSnRu by Materials Project

PrRuSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 2-coordinate geometry to four equivalent Ru and six equivalent Sn atoms. There are two shorter (3.05 Å) and two longer (3.21 Å) Pr–Ru bond lengths. There are a spread of Pr–Sn bond distances ranging from 3.28–3.43 Å. Ru is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Sn atoms. There are a spread of Ru–Sn bond distances ranging from 2.70–2.77 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3InO by Materials Project

Pr3InO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a linear geometry to four equivalent In and two equivalent O atoms. All Pr–In bond lengths are 3.56 Å. Both Pr–O bond lengths are 2.52 Å. In is bonded to twelve equivalent Pr atoms to form InPr12 cuboctahedra that share corners with twelve equivalent InPr12 cuboctahedra, faces with six equivalent InPr12 cuboctahedra, and faces with eight equivalent OPr6 octahedra. O is bonded to six equivalent Pr atoms to form OPr6 octahedra that share corners with six equivalent OPr6 octahedra and faces with eight equivalent InPr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrInCu2 by Materials Project

PrInCu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a distorted body-centered cubic geometry to eight equivalent Cu and six equivalent In atoms. All Pr–Cu bond lengths are 2.95 Å. All Pr–In bond lengths are 3.41 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent In atoms. All Cu–In bond lengths are 2.95 Å. In is bonded in a 8-coordinate geometry to six equivalent Pr and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrMnGe by Materials Project

PrMnGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to four equivalent Mn and five equivalent Ge atoms. All Pr–Mn bond lengths are 3.19 Å. There are four shorter (3.15 Å) and one longer (3.32 Å) Pr–Ge bond lengths. Mn is bonded to four equivalent Pr and four equivalent Ge atoms to form a mixture of distorted face and edge-sharing MnPr4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.61 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Pr and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSnPt by Materials Project

PrPtSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to six equivalent Pt and six equivalent Sn atoms. There are a spread of Pr–Pt bond distances ranging from 3.13–3.66 Å. There are a spread of Pr–Sn bond distances ranging from 3.28–3.43 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Sn atoms. There are a spread of Pt–Sn bond distances ranging from 2.75–2.91 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
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 PrNiSn by Materials Project

PrNiSn is Titanium Disilicide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to six equivalent Ni and six equivalent Sn atoms. There are a spread of Pr–Ni bond distances ranging from 3.03–3.62 Å. There are a spread of Pr–Sn bond distances ranging from 3.23–3.39 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.66–2.77 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSnPd by Materials Project

PrPdSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Sn atoms. There are a spread of Pr–Pd bond distances ranging from 3.18–3.51 Å. There are a spread of Pr–Sn bond distances ranging from 3.29–3.42 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.75–2.94 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2MgNi2 by Materials Project

MgPr2Ni2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded to eight equivalent Pr and four equivalent Ni atoms to form a mixture of distorted face and corner-sharing MgPr8Ni4 cuboctahedra. All Mg–Pr bond lengths are 3.40 Å. All Mg–Ni bond lengths are 3.01 Å. Pr is bonded in a 6-coordinate geometry to four equivalent Mg and six equivalent Ni atoms. There are two shorter (2.94 Å) and four longer (2.98 Å) Pr–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Pr, and one Ni atom. The Ni–Ni bond length is 2.53 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAl3Ni2 by Materials Project

PrNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Ni and twelve equivalent Al atoms. All Pr–Ni bond lengths are 3.10 Å. All Pr–Al bond lengths are 3.35 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Al atoms. All Ni–Al bond lengths are 2.54 Å. Al is bonded to four equivalent Pr and four equivalent Ni atoms to form a mixture of distorted face, edge, and corner-sharing AlPr4Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSnAu by Materials Project

PrAuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Sn atoms. There are three shorter (3.13 Å) and three longer (3.68 Å) Pr–Au bond lengths. There are three shorter (3.27 Å) and three longer (3.50 Å) Pr–Sn bond lengths. Au is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Sn atoms. There are three shorter (2.86 Å) and one longer (3.19 Å) Au–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAgSn by Materials Project

PrAgSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Sn atoms. There are three shorter (3.19 Å) and three longer (3.64 Å) Pr–Ag bond lengths. There are three shorter (3.28 Å) and three longer (3.53 Å) Pr–Sn bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Sn atoms. There are three shorter (2.86 Å) and one longer (3.24 Å) Ag–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrMg3 by Materials Project

Mg3Pr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Pr atoms. All Mg–Mg bond lengths are 3.22 Å. All Mg–Pr bond lengths are 3.72 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Pr atoms. All Mg–Pr bond lengths are 3.22 Å. Pr is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li(PrGe3)2 by Materials Project

LiPr2Ge6 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight Ge atoms. There are four shorter (2.46 Å) and four longer (2.53 Å) Li–Ge bond lengths. Pr is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.08–3.39 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Pr and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Li and two equivalent Pr atoms. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Li and two equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrNiSnH by Materials Project

PrNiSnH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 3-coordinate geometry to six equivalent Sn and three equivalent H atoms. There are a spread of Pr–Sn bond distances ranging from 3.27–3.42 Å. There are one shorter (2.33 Å) and two longer (2.45 Å) Pr–H bond lengths. Ni is bonded in a single-bond geometry to four equivalent Sn and one H atom. There are a spread of Ni–Sn bond distances ranging from 2.67–2.98 Å. The Ni–H bond length is 1.60 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Pr and four equivalent Ni atoms. H is bonded to three equivalent Pr and one Ni atom to form a mixture of edge and corner-sharing HPr3Ni tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2BiO2 by Materials Project

Pr2BiO2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to four equivalent Bi and four equivalent O atoms. All Pr–Bi bond lengths are 3.71 Å. All Pr–O bond lengths are 2.36 Å. Bi is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. O is bonded to four equivalent Pr atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2IrAu by Materials Project

Pr2IrAu 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 Ir and four equivalent Au atoms. All Pr–Ir bond lengths are 3.17 Å. All Pr–Au bond lengths are 3.17 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Au is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

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