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9 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrZn5 by Materials Project

PrZn5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to eighteen Zn atoms. There are six shorter (3.13 Å) and twelve longer (3.45 Å) Pr–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Pr and eight Zn atoms to form a mixture of corner, edge, and face-sharing ZnPr4Zn8 cuboctahedra. There are four shorter (2.65 Å) and four longer (2.71 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Zn17 by Materials Project

Pr2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to nineteen Zn atoms. There are a spread of Pr–Zn bond distances ranging from 3.16–3.49 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Pr and nine Zn atoms to form distorted ZnPr3Zn9 cuboctahedra that share corners with twenty-three ZnPr2Zn10 cuboctahedra, edges with ten ZnPr2Zn10 cuboctahedra, and faces with twenty ZnPr3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–2.89 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Pr and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.96 Å. In the third Zn site, Zn is bonded to two equivalent Pr and ten Zn atoms to form ZnPr2Zn10 cuboctahedra that share corners with twenty-two ZnPr2Zn10 cuboctahedra, edges with ten ZnPr2Zn10 cuboctahedra, and faces with eighteen ZnPr3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.61 Å. In the fourth Zn site, Zn is bonded to two equivalent Pr and ten Zn atoms to form distorted ZnPr2Zn10 cuboctahedra that share corners with twenty-four ZnPr2Zn10 cuboctahedra, edges with five ZnPr2Zn10 cuboctahedra, and faces with twenty-one ZnPr3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.66 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrZn by Materials Project

PrZn 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 Zn atoms. All Pr–Zn bond lengths are 3.22 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrZn11 by Materials Project

PrZn11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are a spread of Pr–Zn bond distances ranging from 3.29–3.43 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 6-coordinate geometry to two equivalent Pr and twelve Zn atoms. There are four shorter (2.80 Å) and eight longer (2.89 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to two equivalent Pr and ten Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPr2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.60–2.99 Å. In the third Zn site, Zn is bonded in a 12-coordinate geometry to ten Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Zn17 by Materials Project

Pr2Zn17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to eighteen Zn atoms. There are a spread of Pr–Zn bond distances ranging from 3.21–3.52 Å. In the second Pr site, Pr is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of Pr–Zn bond distances ranging from 3.15–3.45 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to one Pr and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.98 Å. In the second Zn site, Zn is bonded to three Pr and nine Zn atoms to form distorted ZnPr3Zn9 cuboctahedra that share corners with twenty-three ZnPr2Zn10 cuboctahedra, edges with ten ZnPr2Zn10 cuboctahedra, and faces with twenty ZnPr3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–2.78 Å. In the third Zn site, Zn is bonded to two Pr and ten Zn atoms to form distorted ZnPr2Zn10 cuboctahedra that share corners with twenty-four ZnPr3Zn9 cuboctahedra, edges with five ZnPr2Zn10 cuboctahedra, and faces with twenty-one ZnPr3Zn9 cuboctahedra. There are three shorter (2.63 Å) and one longer (2.74 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded to two equivalent Pr and ten Zn atoms to form ZnPr2Zn10 cuboctahedra that share corners with twenty-two ZnPr2Zn10 cuboctahedra, edges with ten ZnPr2Zn10 cuboctahedra, and faces with eighteen ZnPr3Zn9 cuboctahedra.

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 PrZn2 by Materials Project

PrZn2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to twelve equivalent Zn atoms. There are a spread of Pr–Zn bond distances ranging from 3.15–3.41 Å. Zn is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Zn atoms. There are three shorter (2.65 Å) and one longer (2.90 Å) Zn–Zn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Zn by Materials Project

Pr3Zn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight equivalent Pr and four equivalent Zn atoms. There are a spread of Pr–Pr bond distances ranging from 3.35–3.78 Å. There are two shorter (3.32 Å) and two longer (3.57 Å) Pr–Zn bond lengths. Zn is bonded to twelve equivalent Pr atoms to form a mixture of face and corner-sharing ZnPr12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Zn by Materials Project

Pr3Zn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Pr and four equivalent Zn atoms to form distorted PrPr8Zn4 cuboctahedra that share corners with twelve equivalent PrPr8Zn4 cuboctahedra, edges with eight equivalent PrPr8Zn4 cuboctahedra, edges with eight equivalent ZnPr12 cuboctahedra, faces with four equivalent ZnPr12 cuboctahedra, and faces with ten equivalent PrPr8Zn4 cuboctahedra. There are four shorter (3.44 Å) and four longer (3.51 Å) Pr–Pr bond lengths. All Pr–Zn bond lengths are 3.51 Å. In the second Pr site, Pr is bonded in a distorted square co-planar geometry to eight equivalent Pr and four equivalent Zn atoms. All Pr–Zn bond lengths are 3.44 Å. Zn is bonded to twelve Pr atoms to form ZnPr12 cuboctahedra that share corners with four equivalent ZnPr12 cuboctahedra, edges with eight equivalent ZnPr12 cuboctahedra, edges with sixteen equivalent PrPr8Zn4 cuboctahedra, faces with four equivalent ZnPr12 cuboctahedra, and faces with eight equivalent PrPr8Zn4 cuboctahedra.

36 MATERIALS SCIENCE↗