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At least 1,027 records · Page 57
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DOE OSTI2020

Materials Data on PrSmFe4 by Materials Project

SmPrFe4 is Cubic Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Fe atoms. All Sm–Pr bond lengths are 3.23 Å. All Sm–Fe bond lengths are 3.09 Å. Pr is bonded in a 12-coordinate geometry to four equivalent Sm and twelve equivalent Fe atoms. All Pr–Fe bond lengths are 3.09 Å. Fe is bonded to three equivalent Sm, three equivalent Pr, and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FePr3Sm3Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.64 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Rh4Pb13 by Materials Project

Pr3Rh4Pb13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Pb atoms. All Pr–Rh bond lengths are 3.60 Å. There are four shorter (3.56 Å) and eight longer (3.59 Å) Pr–Pb bond lengths. Rh is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Pb atoms. All Rh–Pb bond lengths are 2.79 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to three equivalent Pr, two equivalent Rh, and four Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.16–3.50 Å. In the second Pb site, Pb is bonded in a cuboctahedral geometry to twelve equivalent Pb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrYMg4 by Materials Project

Mg4PrY is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg, three equivalent Pr, and three equivalent Y atoms to form a mixture of face, edge, and corner-sharing MgPr3Y3Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.05 Å. All Mg–Pr bond lengths are 3.58 Å. All Mg–Y bond lengths are 3.58 Å. Pr is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Y atoms. All Pr–Y bond lengths are 3.74 Å. Y is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrMnGa by Materials Project

PrMnGa crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to four equivalent Mn and six equivalent Ga atoms. All Pr–Mn bond lengths are 3.04 Å. There are four shorter (3.27 Å) and two longer (3.41 Å) Pr–Ga bond lengths. Mn is bonded in a body-centered cubic geometry to four equivalent Pr, two equivalent Mn, and two equivalent Ga atoms. Both Mn–Mn bond lengths are 2.14 Å. Both Mn–Ga bond lengths are 2.61 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Pr, two equivalent Mn, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.73 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrIn2Rh by Materials Project

PrRhIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to three equivalent Rh and ten equivalent In atoms. There are one shorter (2.95 Å) and two longer (3.16 Å) Pr–Rh bond lengths. There are a spread of Pr–In bond distances ranging from 3.37–3.53 Å. Rh is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent In atoms. There are two shorter (2.81 Å) and four longer (2.84 Å) Rh–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Pr and three equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSbIr by Materials Project

PrIrSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to six equivalent Ir and six equivalent Sb atoms. There are a spread of Pr–Ir bond distances ranging from 3.11–3.61 Å. There are a spread of Pr–Sb bond distances ranging from 3.25–3.40 Å. Ir is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.72–2.80 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrCuGe by Materials Project

PrCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pr is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing PrCu6Ge6 cuboctahedra. All Pr–Cu bond lengths are 3.21 Å. All Pr–Ge bond lengths are 3.21 Å. Cu is bonded in a 3-coordinate geometry to six equivalent Pr and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.45 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Pr and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Ta(ClO2)3 by Materials Project

Pr3Ta(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Pr+3.33+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of Pr–O bond distances ranging from 2.43–2.68 Å. There are a spread of Pr–Cl bond distances ranging from 3.02–3.09 Å. Ta5+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All Ta–O bond lengths are 2.00 Å. O2- is bonded to three equivalent Pr+3.33+ and one Ta5+ atom to form a mixture of distorted edge and corner-sharing OPr3Ta tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four equivalent Pr+3.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3BBr3 by Materials Project

Pr3BBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent B and four equivalent Br atoms to form a mixture of edge and corner-sharing PrB2Br4 octahedra. The corner-sharing octahedra tilt angles range from 6–10°. Both Pr–B bond lengths are 2.75 Å. There are two shorter (3.06 Å) and two longer (3.17 Å) Pr–Br bond lengths. B is bonded to six equivalent Pr atoms to form edge-sharing BPr6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrGdAl4 by Materials Project

GdPrAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Al atoms. All Gd–Pr bond lengths are 3.43 Å. All Gd–Al bond lengths are 3.28 Å. Pr is bonded in a 12-coordinate geometry to four equivalent Gd and twelve equivalent Al atoms. All Pr–Al bond lengths are 3.28 Å. Al is bonded to three equivalent Gd, three equivalent Pr, and six equivalent Al atoms to form a mixture of corner, edge, and face-sharing AlPr3Gd3Al6 cuboctahedra. There are three shorter (2.79 Å) and three longer (2.80 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrZn3 by Materials Project

PrZn3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to fourteen Zn atoms. There are a spread of Pr–Zn bond distances ranging from 3.10–3.60 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to five equivalent Pr and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.85 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to five equivalent Pr and five Zn atoms. There are one shorter (2.65 Å) and two longer (2.91 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to four equivalent Pr and six Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2MgIn by Materials Project

MgPr2In is Heusler structured and crystallizes in the cubic Fm-3m 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 3.38 Å. Pr is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent In atoms. All Pr–In bond lengths are 3.38 Å. In is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2TlHg by Materials Project

Pr2HgTl 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 Hg and four equivalent Tl atoms. All Pr–Hg bond lengths are 3.39 Å. All Pr–Tl bond lengths are 3.39 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3RhBr3 by Materials Project

Pr3RhBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent Rh and four equivalent Br atoms to form a mixture of corner and edge-sharing PrRh2Br4 octahedra. The corner-sharing octahedra tilt angles range from 5–8°. Both Pr–Rh bond lengths are 2.86 Å. There are two shorter (3.13 Å) and two longer (3.24 Å) Pr–Br bond lengths. Rh is bonded to six equivalent Pr atoms to form edge-sharing RhPr6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2CdHg by Materials Project

Pr2HgCd 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 Hg and four equivalent Cd atoms. All Pr–Hg bond lengths are 3.36 Å. All Pr–Cd bond lengths are 3.36 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2MgCd by Materials Project

MgPr2Cd is Heusler structured and crystallizes in the cubic Fm-3m 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 3.37 Å. Pr is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Cd atoms. All Pr–Cd bond lengths are 3.37 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrYFe4 by Materials Project

PrYFe4 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 Fe atoms. All Pr–Y bond lengths are 3.21 Å. All Pr–Fe bond lengths are 3.07 Å. Y is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Fe atoms. All Y–Fe bond lengths are 3.07 Å. Fe is bonded to three equivalent Pr, three equivalent Y, and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FePr3Y3Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.62 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAlPd2 by Materials Project

PrPd2Al crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Al atoms. There are a spread of Pr–Pd bond distances ranging from 3.08–3.36 Å. There are two shorter (3.18 Å) and one longer (3.22 Å) Pr–Al bond lengths. Pd is bonded in a 12-coordinate geometry to four equivalent Pr and three equivalent Al atoms. There are a spread of Pd–Al bond distances ranging from 2.59–2.67 Å. Al is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Pd atoms.

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