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At least 1,549 records · Page 86
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DOE OSTI2020

Materials Data on PrDy3 by Materials Project

Dy3Pr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc 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 four equivalent PrDy12 cuboctahedra, corners with fourteen DyPr4Dy8 cuboctahedra, edges with six equivalent PrDy12 cuboctahedra, edges with twelve DyPr4Dy8 cuboctahedra, faces with four equivalent PrDy12 cuboctahedra, and faces with sixteen DyPr4Dy8 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.57–3.67 Å. There are two shorter (3.59 Å) and two longer (3.64 Å) Dy–Pr bond lengths. 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 PrDy12 cuboctahedra, corners with fourteen DyPr4Dy8 cuboctahedra, edges with six equivalent PrDy12 cuboctahedra, edges with twelve equivalent DyPr4Dy8 cuboctahedra, faces with four equivalent PrDy12 cuboctahedra, and faces with sixteen DyPr4Dy8 cuboctahedra. There are two shorter (3.59 Å) and two longer (3.64 Å) Dy–Pr bond lengths. Pr is bonded to twelve Dy atoms to form PrDy12 cuboctahedra that share corners with six equivalent PrDy12 cuboctahedra, corners with twelve DyPr4Dy8 cuboctahedra, edges with eighteen DyPr4Dy8 cuboctahedra, faces with eight equivalent PrDy12 cuboctahedra, and faces with twelve DyPr4Dy8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrYAl4 by Materials Project

PrYAl4 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 Al atoms. All Pr–Y bond lengths are 3.46 Å. All Pr–Al bond lengths are 3.31 Å. Y is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Al atoms. All Y–Al bond lengths are 3.31 Å. Al is bonded to three equivalent Pr, three equivalent Y, and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlPr3Y3Al6 cuboctahedra. There are three shorter (2.82 Å) and three longer (2.83 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Pr by Materials Project

K3Pr is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to eight K and four equivalent Pr atoms to form KK8Pr4 cuboctahedra that share corners with twelve equivalent KK8Pr4 cuboctahedra, edges with eight equivalent KK8Pr4 cuboctahedra, edges with eight equivalent PrK12 cuboctahedra, faces with four equivalent PrK12 cuboctahedra, and faces with ten equivalent KK8Pr4 cuboctahedra. There are four shorter (4.12 Å) and four longer (4.46 Å) K–K bond lengths. All K–Pr bond lengths are 4.46 Å. In the second K site, K is bonded in a distorted square co-planar geometry to eight equivalent K and four equivalent Pr atoms. All K–Pr bond lengths are 4.12 Å. Pr is bonded to twelve K atoms to form PrK12 cuboctahedra that share corners with four equivalent PrK12 cuboctahedra, edges with eight equivalent PrK12 cuboctahedra, edges with sixteen equivalent KK8Pr4 cuboctahedra, faces with four equivalent PrK12 cuboctahedra, and faces with eight equivalent KK8Pr4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrYNi4 by Materials Project

PrYNi4 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 Y and twelve equivalent Ni atoms. All Pr–Y bond lengths are 3.16 Å. All Pr–Ni bond lengths are 3.03 Å. Y is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Ni atoms. All Y–Ni bond lengths are 3.02 Å. Ni is bonded to three equivalent Pr, three equivalent Y, and six equivalent Ni atoms to form a mixture of edge, corner, and face-sharing NiPr3Y3Ni6 cuboctahedra. There are three shorter (2.57 Å) and three longer (2.58 Å) Ni–Ni bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiPr2Rh by Materials Project

LiPr2Rh 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 3.15 Å. Pr is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms. All Pr–Rh bond lengths are 3.15 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2GaNi2 by Materials Project

Pr2Ni2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Ga atoms. There are two shorter (2.95 Å) and four longer (3.05 Å) Pr–Ni bond lengths. There are two shorter (3.25 Å) and two longer (3.34 Å) Pr–Ga bond lengths. Ni is bonded in a 10-coordinate geometry to six equivalent Pr, one Ni, and two equivalent Ga atoms. The Ni–Ni bond length is 2.56 Å. Both Ni–Ga bond lengths are 2.59 Å. Ga is bonded to eight equivalent Pr and four equivalent Ni atoms to form a mixture of edge and face-sharing GaPr8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrNiGe by Materials Project

PrNiGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to four equivalent Ni and six equivalent Ge atoms. There are a spread of Pr–Ni bond distances ranging from 2.96–3.16 Å. There are a spread of Pr–Ge bond distances ranging from 3.09–3.29 Å. Ni is bonded in a 10-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. There are three shorter (2.54 Å) and one longer (2.70 Å) Ni–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3CBr3 by Materials Project

Pr3CBr3 is Ilmenite-like structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent C and four equivalent Br atoms to form a mixture of distorted edge and corner-sharing PrC2Br4 octahedra. The corner-sharing octahedra tilt angles range from 7–12°. Both Pr–C bond lengths are 2.66 Å. There are two shorter (3.03 Å) and two longer (3.15 Å) Pr–Br bond lengths. C is bonded to six equivalent Pr atoms to form edge-sharing CPr6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2IrRh by Materials Project

Pr2IrRh 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 Rh atoms. All Pr–Ir bond lengths are 3.10 Å. All Pr–Rh bond lengths are 3.10 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3AsS5Cl2 by Materials Project

Pr3AsS5Cl2 crystallizes in the monoclinic Cc 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 five S2- and three Cl1- atoms. There are a spread of Pr–S bond distances ranging from 2.87–3.13 Å. There are a spread of Pr–Cl bond distances ranging from 2.89–3.21 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to five S2- and three Cl1- atoms. There are a spread of Pr–S bond distances ranging from 2.82–3.04 Å. There are a spread of Pr–Cl bond distances ranging from 2.89–3.32 Å. In the third Pr3+ site, Pr3+ is bonded to seven S2- atoms to form a mixture of distorted edge and corner-sharing PrS7 pentagonal bipyramids. There are a spread of Pr–S bond distances ranging from 2.82–3.05 Å. As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.30 Å) and one longer (2.31 Å) As–S bond lengths. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded to four Pr3+ atoms to form a mixture of distorted edge and corner-sharing SPr4 tetrahedra. In the second S2- site, S2- is bonded to four Pr3+ atoms to form a mixture of distorted edge and corner-sharing SPr4 tetrahedra. In the third S2- site, S2- is bonded in a distorted see-saw-like geometry to three Pr3+ and one As3+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three Pr3+ and one As3+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three Pr3+ and one As3+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Pr3+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to three Pr3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on Pr2Cr3Co14 by Materials Project

Pr2Cr3Co14 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 3-coordinate geometry to sixteen Co atoms. There are a spread of Pr–Co bond distances ranging from 3.01–3.21 Å. Cr is bonded in a 10-coordinate geometry to ten Co atoms. There are a spread of Cr–Co bond distances ranging from 2.37–2.57 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two equivalent Pr, two equivalent Cr, and eight Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.66 Å. In the second Co site, Co is bonded to three equivalent Pr, two equivalent Cr, and seven Co atoms to form a mixture of distorted corner, edge, and face-sharing CoPr3Cr2Co7 cuboctahedra. There are one shorter (2.53 Å) and two longer (2.56 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 8-coordinate geometry to one Pr, three equivalent Cr, and ten Co atoms. The Co–Co bond length is 2.36 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2CdRh2 by Materials Project

Pr2Rh2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Rh and four equivalent Cd atoms. There are two shorter (2.94 Å) and four longer (3.07 Å) Pr–Rh bond lengths. All Pr–Cd bond lengths are 3.46 Å. Rh is bonded in a 9-coordinate geometry to six equivalent Pr, one Rh, and two equivalent Cd atoms. The Rh–Rh bond length is 2.74 Å. Both Rh–Cd bond lengths are 2.99 Å. Cd is bonded to eight equivalent Pr and four equivalent Rh atoms to form a mixture of distorted corner and face-sharing CdPr8Rh4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSiGe by Materials Project

PrGeSi is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pr is bonded to six equivalent Ge and six equivalent Si atoms to form a mixture of edge and face-sharing PrSi6Ge6 cuboctahedra. There are four shorter (3.23 Å) and two longer (3.45 Å) Pr–Ge bond lengths. There are four shorter (3.21 Å) and two longer (3.22 Å) Pr–Si bond lengths. Ge is bonded in a 9-coordinate geometry to six equivalent Pr, two equivalent Ge, and one Si atom. Both Ge–Ge bond lengths are 2.58 Å. The Ge–Si bond length is 2.53 Å. Si is bonded in a 9-coordinate geometry to six equivalent Pr, one Ge, and two equivalent Si atoms. Both Si–Si bond lengths are 2.38 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrNdAl4 by Materials Project

NdPrAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Al atoms. All Nd–Pr bond lengths are 3.50 Å. All Nd–Al bond lengths are 3.35 Å. Pr is bonded in a 12-coordinate geometry to four equivalent Nd and twelve equivalent Al atoms. All Pr–Al bond lengths are 3.35 Å. Al is bonded to three equivalent Nd, three equivalent Pr, and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlPr3Nd3Al6 cuboctahedra. There are three shorter (2.85 Å) and three longer (2.86 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrGaCo by Materials Project

PrCoGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five equivalent Co and six equivalent Ga atoms. There are a spread of Pr–Co bond distances ranging from 2.96–3.24 Å. There are a spread of Pr–Ga bond distances ranging from 3.10–3.23 Å. Co is bonded in a 9-coordinate geometry to five equivalent Pr and four equivalent Ga atoms. There are three shorter (2.58 Å) and one longer (2.59 Å) Co–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSiI by Materials Project

PrSiI crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one PrSiI sheet oriented in the (0, 0, 1) direction. Pr is bonded in a 9-coordinate geometry to six equivalent Si and three equivalent I atoms. There are three shorter (3.11 Å) and three longer (3.19 Å) Pr–Si bond lengths. All Pr–I bond lengths are 3.24 Å. Si is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Si atoms. All Si–Si bond lengths are 2.42 Å. I is bonded in a 3-coordinate geometry to three equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2CuAg by Materials Project

Pr2AgCu is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Cu atoms. All Pr–Ag bond lengths are 3.28 Å. All Pr–Cu bond lengths are 3.16 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrCdNi4 by Materials Project

PrNi4Cd 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 twelve equivalent Ni and four equivalent Cd atoms. All Pr–Ni bond lengths are 2.97 Å. All Pr–Cd bond lengths are 3.10 Å. Ni is bonded to three equivalent Pr, six equivalent Ni, and three equivalent Cd atoms to form a mixture of face, edge, and corner-sharing NiPr3Cd3Ni6 cuboctahedra. There are three shorter (2.50 Å) and three longer (2.56 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.97 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Pr and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗