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At least 1,315 records · Page 73
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DOE OSTI2020

Materials Data on PrAl3 by Materials Project

PrAl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Al atoms to form a mixture of distorted face and corner-sharing PrAl12 cuboctahedra. There are six shorter (3.20 Å) and six longer (3.28 Å) Pr–Al bond lengths. Al is bonded in a 10-coordinate geometry to four equivalent Pr and six equivalent Al atoms. There are two shorter (2.75 Å) and four longer (2.82 Å) Al–Al bond lengths.

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Materials Data on PrPt3 by Materials Project

PrPt3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Pt atoms to form a mixture of face and corner-sharing PrPt12 cuboctahedra. All Pr–Pt bond lengths are 2.99 Å. Pt is bonded in a distorted square co-planar geometry to four equivalent Pr atoms.

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Materials Data on PrTl by Materials Project

PrTl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Pr–Tl bond lengths are 3.41 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

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Materials Data on PrPt by Materials Project

PrPt crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 7-coordinate geometry to seven equivalent Pt atoms. There are a spread of Pr–Pt bond distances ranging from 3.02–3.17 Å. Pt is bonded in a 7-coordinate geometry to seven equivalent Pr atoms.

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Materials Data on PrB6 by Materials Project

PrB6 is Calcium hexaboride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to twenty-four equivalent B atoms. All Pr–B bond lengths are 3.05 Å. B is bonded in a 1-coordinate geometry to four equivalent Pr and five equivalent B atoms. There is one shorter (1.66 Å) and four longer (1.76 Å) B–B bond length.

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Materials Data on PrCrGe3 by Materials Project

PrCrGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Ge atoms to form distorted PrGe12 cuboctahedra that share corners with six equivalent PrGe12 cuboctahedra, corners with six equivalent CrGe6 octahedra, faces with eight equivalent PrGe12 cuboctahedra, and faces with six equivalent CrGe6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are six shorter (3.10 Å) and six longer (3.25 Å) Pr–Ge bond lengths. Cr is bonded to six equivalent Ge atoms to form CrGe6 octahedra that share corners with six equivalent PrGe12 cuboctahedra, faces with six equivalent PrGe12 cuboctahedra, and faces with two equivalent CrGe6 octahedra. All Cr–Ge bond lengths are 2.51 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Pr, two equivalent Cr, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.62 Å.

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Materials Data on PrBPt4 by Materials Project

PrPt4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 12-coordinate geometry to twelve equivalent Pt and six equivalent B3- atoms. All Pr–Pt bond lengths are 3.16 Å. All Pr–B bond lengths are 3.19 Å. In the second Pr3+ site, Pr3+ is bonded in a hexagonal planar geometry to six equivalent Pt atoms. All Pr–Pt bond lengths are 3.19 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to three equivalent Pr3+ and nine Pt atoms. There are six shorter (2.81 Å) and three longer (3.19 Å) Pt–Pt bond lengths. In the second Pt site, Pt is bonded in an L-shaped geometry to two equivalent Pr3+, two equivalent Pt, and two equivalent B3- atoms. Both Pt–B bond lengths are 2.21 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Pr3+ and six equivalent Pt atoms.

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Materials Data on Pr3GePO9 by Materials Project

Pr3GePO9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to seven O2- atoms to form distorted PrO7 pentagonal bipyramids that share a cornercorner with one PO4 tetrahedra, corners with two equivalent GeO4 tetrahedra, an edgeedge with one PrO7 pentagonal bipyramid, and an edgeedge with one PO4 tetrahedra. There are a spread of Pr–O bond distances ranging from 2.37–2.62 Å. In the second Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.42–3.01 Å. In the third Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.45–2.65 Å. 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 1.75–1.81 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one PrO7 pentagonal bipyramid and an edgeedge with one PrO7 pentagonal bipyramid. There is three shorter (1.55 Å) and one longer (1.57 Å) P–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Pr3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Pr3+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Pr3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Pr3+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Pr3+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two Pr3+ and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Pr3+ and one Ge4+ atom. In the ninth O2- site, O2- is bonded to four Pr3+ atoms to form edge-sharing OPr4 tetrahedra.

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Materials Data on Pr3S4 by Materials Project

Pr3S4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pr is bonded to eight equivalent S atoms to form a mixture of distorted face, edge, and corner-sharing PrS8 hexagonal bipyramids. There are four shorter (2.92 Å) and four longer (3.07 Å) Pr–S bond lengths. S is bonded to six equivalent Pr atoms to form a mixture of distorted face, edge, and corner-sharing SPr6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.

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Materials Data on Pr10Se19 by Materials Project

Pr10Se19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of Pr–Se bond distances ranging from 3.06–3.17 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Se+1.58- atoms. There are a spread of Pr–Se bond distances ranging from 3.02–3.19 Å. In the third Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of Pr–Se bond distances ranging from 3.06–3.27 Å. There are six inequivalent Se+1.58- sites. In the first Se+1.58- site, Se+1.58- is bonded to five Pr3+ atoms to form a mixture of distorted edge and corner-sharing SePr5 trigonal bipyramids. In the second Se+1.58- site, Se+1.58- is bonded in a 4-coordinate geometry to four Pr3+ and two equivalent Se+1.58- atoms. There are one shorter (2.58 Å) and one longer (2.88 Å) Se–Se bond lengths. In the third Se+1.58- site, Se+1.58- is bonded in a 6-coordinate geometry to four Pr3+ and two equivalent Se+1.58- atoms. In the fourth Se+1.58- site, Se+1.58- is bonded to five Pr3+ atoms to form a mixture of distorted edge and corner-sharing SePr5 trigonal bipyramids. In the fifth Se+1.58- site, Se+1.58- is bonded to five Pr3+ atoms to form a mixture of distorted edge and corner-sharing SePr5 trigonal bipyramids. In the sixth Se+1.58- site, Se+1.58- is bonded in a 4-coordinate geometry to four equivalent Pr3+ atoms.

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Materials Data on Pr4Sb3 by Materials Project

Pr4Sb3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Sb atoms. There are three shorter (3.19 Å) and three longer (3.45 Å) Pr–Sb bond lengths. Sb is bonded to eight equivalent Pr atoms to form a mixture of distorted edge, corner, and face-sharing SbPr8 hexagonal bipyramids.

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Materials Data on PrMg by Materials Project

PrMg is Tetraauricupride structured and crystallizes in the cubic Pm-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 3.39 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.

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DOE OSTI2020

Materials Data on PrPd3 by Materials Project

PrPd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Pd atoms to form a mixture of corner and face-sharing PrPd12 cuboctahedra. All Pr–Pd bond lengths are 2.99 Å. Pd is bonded in a distorted square co-planar geometry to four equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3ReO8 by Materials Project

Pr3ReO8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.40–2.75 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.31–2.73 Å. In the third Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.36–2.71 Å. Re7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Re–O bond distances ranging from 1.83–1.97 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pr3+ atoms to form a mixture of distorted edge and corner-sharing OPr4 tetrahedra. In the second O2- site, O2- is bonded to four Pr3+ atoms to form a mixture of distorted edge and corner-sharing OPr4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Pr3+ and one Re7+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Re7+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Pr3+ and one Re7+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Pr3+ and one Re7+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Pr3+ and one Re7+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Pr3+ and one Re7+ atom.

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Materials Data on PrMgRh by Materials Project

MgPrRh crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded to four equivalent Rh atoms to form a mixture of distorted edge and corner-sharing MgRh4 tetrahedra. There are a spread of Mg–Rh bond distances ranging from 2.78–2.90 Å. Pr is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are a spread of Pr–Rh bond distances ranging from 3.03–3.11 Å. Rh is bonded in a 9-coordinate geometry to four equivalent Mg and five equivalent Pr atoms.

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Materials Data on PrSe by Materials Project

PrSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded to six equivalent Se atoms to form a mixture of edge and corner-sharing PrSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Se bond lengths are 3.02 Å. Se is bonded to six equivalent Pr atoms to form a mixture of edge and corner-sharing SePr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrNi2 by Materials Project

PrNi2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to twelve equivalent Ni atoms. All Pr–Ni bond lengths are 3.04 Å. Ni is bonded to six equivalent Pr and six equivalent Ni atoms to form a mixture of edge, face, and corner-sharing NiPr6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.60 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrTl3 by Materials Project

PrTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Tl atoms to form PrTl12 cuboctahedra that share corners with twelve equivalent PrTl12 cuboctahedra, edges with twenty-four equivalent TlPr4Tl8 cuboctahedra, faces with six equivalent PrTl12 cuboctahedra, and faces with twelve equivalent TlPr4Tl8 cuboctahedra. All Pr–Tl bond lengths are 3.44 Å. Tl is bonded to four equivalent Pr and eight equivalent Tl atoms to form distorted TlPr4Tl8 cuboctahedra that share corners with twelve equivalent TlPr4Tl8 cuboctahedra, edges with eight equivalent PrTl12 cuboctahedra, edges with sixteen equivalent TlPr4Tl8 cuboctahedra, faces with four equivalent PrTl12 cuboctahedra, and faces with fourteen equivalent TlPr4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.44 Å.

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