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At least 1,117 records · Page 62
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DOE OSTI2020

Materials Data on PrGePd by Materials Project

PrPdGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Ge atoms. There are a spread of Pr–Pd bond distances ranging from 3.08–3.33 Å. There are a spread of Pr–Ge bond distances ranging from 3.18–3.37 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Pr, one Pd, and three equivalent Ge atoms. The Pd–Pd bond length is 2.93 Å. There are two shorter (2.57 Å) and one longer (3.03 Å) Pd–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Pr, three equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.58 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2TlIn by Materials Project

Pr2TlIn 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 Tl and four equivalent In atoms. All Pr–Tl bond lengths are 3.40 Å. All Pr–In bond lengths are 3.40 Å. Tl 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↗
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Materials Data on PrAl2Ni by Materials Project

PrNiAl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Al atoms. There are one shorter (2.99 Å) and two longer (3.21 Å) Pr–Ni bond lengths. There are a spread of Pr–Al bond distances ranging from 3.18–3.45 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Al atoms. There are two shorter (2.47 Å) and four longer (2.50 Å) Ni–Al bond lengths. Al is bonded in a 3-coordinate geometry to five equivalent Pr and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3Pr by Materials Project

Na3Pr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to eight Na and four equivalent Pr atoms to form NaNa8Pr4 cuboctahedra that share corners with twelve equivalent NaNa8Pr4 cuboctahedra, edges with eight equivalent PrNa12 cuboctahedra, edges with sixteen NaNa8Pr4 cuboctahedra, faces with four equivalent PrNa12 cuboctahedra, and faces with fourteen NaNa8Pr4 cuboctahedra. There are four shorter (3.60 Å) and four longer (3.76 Å) Na–Na bond lengths. All Na–Pr bond lengths are 3.76 Å. In the second Na site, Na is bonded to eight equivalent Na and four equivalent Pr atoms to form distorted NaNa8Pr4 cuboctahedra that share corners with four equivalent NaNa8Pr4 cuboctahedra, corners with eight equivalent PrNa12 cuboctahedra, edges with twenty-four NaNa8Pr4 cuboctahedra, faces with six equivalent PrNa12 cuboctahedra, and faces with twelve NaNa8Pr4 cuboctahedra. All Na–Pr bond lengths are 3.60 Å. Pr is bonded to twelve Na atoms to form PrNa12 cuboctahedra that share corners with four equivalent PrNa12 cuboctahedra, corners with eight equivalent NaNa8Pr4 cuboctahedra, edges with eight equivalent PrNa12 cuboctahedra, edges with sixteen equivalent NaNa8Pr4 cuboctahedra, faces with four equivalent PrNa12 cuboctahedra, and faces with fourteen NaNa8Pr4 cuboctahedra.

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DOE OSTI2020

Materials Data on Pr2ZnGa by Materials Project

Pr2ZnGa 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 Ga atoms. All Pr–Zn bond lengths are 3.23 Å. All Pr–Ga bond lengths are 3.23 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2I2O by Materials Project

Pr2OI2 is Cyanogen Chloride-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Pr2OI2 cluster. Pr is bonded in a distorted linear geometry to one O and one I atom. The Pr–O bond length is 2.16 Å. The Pr–I bond length is 2.97 Å. O is bonded in a linear geometry to two equivalent Pr atoms. I is bonded in a single-bond geometry to one Pr atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAgGe by Materials Project

PrAgGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Pr is bonded to six equivalent Ag and six equivalent Ge atoms to form a mixture of distorted face and edge-sharing PrAg6Ge6 cuboctahedra. There are three shorter (3.20 Å) and three longer (3.37 Å) Pr–Ag bond lengths. There are three shorter (3.12 Å) and three longer (3.46 Å) Pr–Ge bond lengths. Ag is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Ge atoms. All Ag–Ge bond lengths are 2.68 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3Pr by Materials Project

Yb3Pr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted body-centered cubic geometry to four equivalent Yb and four equivalent Pr atoms. All Yb–Yb bond lengths are 3.66 Å. All Yb–Pr bond lengths are 3.66 Å. In the second Yb site, Yb is bonded in a distorted body-centered cubic geometry to eight equivalent Yb and six equivalent Pr atoms. All Yb–Pr bond lengths are 4.23 Å. Pr is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3AlN by Materials Project

Pr3AlN 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 Al and two equivalent N atoms. All Pr–Al bond lengths are 3.57 Å. Both Pr–N bond lengths are 2.52 Å. Al is bonded to twelve equivalent Pr atoms to form AlPr12 cuboctahedra that share corners with twelve equivalent AlPr12 cuboctahedra, faces with six equivalent AlPr12 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 AlPr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
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Materials Data on PrIn2Ir by Materials Project

PrIrIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 3-coordinate geometry to three equivalent Ir and ten equivalent In atoms. There are one shorter (3.05 Å) and two longer (3.12 Å) Pr–Ir bond lengths. There are a spread of Pr–In bond distances ranging from 3.38–3.54 Å. Ir is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent In atoms. There are two shorter (2.82 Å) and four longer (2.85 Å) Ir–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Pr and three equivalent Ir atoms.

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Materials Data on Pr2(GeIr)3 by Materials Project

Pr2(IrGe)3 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Pr2(IrGe)3 ribbon oriented in the (0, 0, 1) direction. Pr is bonded in a linear geometry to one Ir and one Ge atom. The Pr–Ir bond length is 2.32 Å. The Pr–Ge bond length is 2.84 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a linear geometry to one Pr and one Ge atom. The Ir–Ge bond length is 2.31 Å. In the second Ir site, Ir is bonded in a linear geometry to two equivalent Ge atoms. Both Ir–Ge bond lengths are 2.32 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a linear geometry to one Pr and one Ir atom. In the second Ge site, Ge is bonded in a linear geometry to two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Pr3Ge13Ir4 by Materials Project

Pr3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Pr–Ir bond lengths are 3.24 Å. There are eight shorter (3.20 Å) and four longer (3.29 Å) Pr–Ge bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Ge atoms. All Ir–Ge bond lengths are 2.53 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Pr, two equivalent Ir, and two Ge atoms. There are one shorter (2.66 Å) and one longer (3.08 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Ni3Bi4 by Materials Project

Pr3Ni3Bi4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Ni and eight equivalent Bi atoms. All Pr–Ni bond lengths are 3.03 Å. There are four shorter (3.38 Å) and four longer (3.49 Å) Pr–Bi bond lengths. Ni is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.75 Å. Bi is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaPr9(Ge3O13)2 by Materials Project

NaPr9(Ge3O13)2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.49 Å) and three longer (2.66 Å) Na–O bond lengths. There are five inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.45–2.85 Å. In the second Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.44–2.86 Å. In the third Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.45–2.93 Å. In the fourth Pr3+ site, Pr3+ is bonded to seven O2- atoms to form distorted PrO7 pentagonal bipyramids that share corners with two equivalent PrO7 pentagonal bipyramids, corners with four GeO4 tetrahedra, and an edgeedge with one GeO4 tetrahedra. There are a spread of Pr–O bond distances ranging from 2.34–2.71 Å. In the fifth Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pr–O bond distances ranging from 2.32–2.85 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent PrO7 pentagonal bipyramids and an edgeedge with one PrO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.74–1.79 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent PrO7 pentagonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.76–1.78 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Pr3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Pr3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Pr3+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Pr3+ atoms. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Pr3+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Ge4+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Ge4+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to two Pr3+ and one Ge4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3(GaNi3)2 by Materials Project

Pr3(Ni3Ga)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Ga atoms. There are four shorter (2.84 Å) and four longer (3.09 Å) Pr–Ni bond lengths. All Pr–Ga bond lengths are 3.22 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Pr, six equivalent Ni, and two equivalent Ga atoms. There are four shorter (2.62 Å) and two longer (2.96 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.53 Å. Ga is bonded to six equivalent Pr and six equivalent Ni atoms to form a mixture of face and corner-sharing GaPr6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CePrFe4 by Materials Project

PrCeFe4 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 Ce and twelve equivalent Fe atoms. All Pr–Ce bond lengths are 3.20 Å. All Pr–Fe bond lengths are 3.07 Å. Ce is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Fe atoms. All Ce–Fe bond lengths are 3.07 Å. Fe is bonded to three equivalent Pr, three equivalent Ce, and six equivalent Fe atoms to form a mixture of edge, face, and corner-sharing FeCe3Pr3Fe6 cuboctahedra. There are three shorter (2.61 Å) and three longer (2.63 Å) Fe–Fe bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2PrGe by Materials Project

Li2PrGe crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a distorted trigonal non-coplanar geometry to four equivalent Pr and three equivalent Ge atoms. There are a spread of Li–Pr bond distances ranging from 3.03–3.11 Å. All Li–Ge bond lengths are 2.61 Å. Pr is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Ge atoms. All Pr–Ge bond lengths are 3.50 Å. Ge is bonded in a distorted hexagonal planar geometry to six equivalent Li and six equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Ge13Ru4 by Materials Project

Pr3Ru4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Ru and twelve equivalent Ge atoms. All Pr–Ru bond lengths are 3.24 Å. There are eight shorter (3.25 Å) and four longer (3.27 Å) Pr–Ge bond lengths. Ru is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Ge atoms. All Ru–Ge bond lengths are 2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Pr, two equivalent Ru, and one Ge atom. The Ge–Ge bond length is 3.03 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

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