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At least 1,063 records · Page 59
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DOE OSTI2020

Materials Data on Pr3CoBr3 by Materials Project

Pr3CoBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent Co and four equivalent Br atoms to form a mixture of edge and corner-sharing PrCo2Br4 octahedra. The corner-sharing octahedra tilt angles range from 6–10°. Both Pr–Co bond lengths are 2.79 Å. There are two shorter (3.11 Å) and two longer (3.24 Å) Pr–Br bond lengths. Co is bonded to six equivalent Pr atoms to form edge-sharing CoPr6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Pr2AlZn by Materials Project

Pr2ZnAl 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 Zn and four equivalent Al atoms. All Pr–Zn bond lengths are 3.22 Å. All Pr–Al bond lengths are 3.25 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Pr by Materials Project

Tb3Pr is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Pr atoms to form TbTb8Pr4 cuboctahedra that share corners with four equivalent PrTb12 cuboctahedra, corners with fourteen TbTb8Pr4 cuboctahedra, edges with six equivalent PrTb12 cuboctahedra, edges with twelve TbTb8Pr4 cuboctahedra, faces with four equivalent PrTb12 cuboctahedra, and faces with sixteen TbTb8Pr4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.60–3.67 Å. There are two shorter (3.62 Å) and two longer (3.64 Å) Tb–Pr bond lengths. In the second Tb site, Tb is bonded to eight equivalent Tb and four equivalent Pr atoms to form TbTb8Pr4 cuboctahedra that share corners with four equivalent PrTb12 cuboctahedra, corners with fourteen TbTb8Pr4 cuboctahedra, edges with six equivalent PrTb12 cuboctahedra, edges with twelve equivalent TbTb8Pr4 cuboctahedra, faces with four equivalent PrTb12 cuboctahedra, and faces with sixteen TbTb8Pr4 cuboctahedra. There are two shorter (3.62 Å) and two longer (3.64 Å) Tb–Pr bond lengths. Pr is bonded to twelve Tb atoms to form PrTb12 cuboctahedra that share corners with six equivalent PrTb12 cuboctahedra, corners with twelve equivalent TbTb8Pr4 cuboctahedra, edges with eighteen TbTb8Pr4 cuboctahedra, faces with eight equivalent PrTb12 cuboctahedra, and faces with twelve TbTb8Pr4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2GaAg by Materials Project

Pr2AgGa 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 Ag and four equivalent Ga atoms. All Pr–Ag bond lengths are 3.26 Å. All Pr–Ga bond lengths are 3.26 Å. Ag 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 Pr3OsBr3 by Materials Project

Pr3OsBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent Os and four equivalent Br atoms to form a mixture of edge and corner-sharing PrOs2Br4 octahedra. The corner-sharing octahedra tilt angles range from 6–8°. Both Pr–Os bond lengths are 2.86 Å. There are two shorter (3.12 Å) and two longer (3.25 Å) Pr–Br bond lengths. Os is bonded to six equivalent Pr atoms to form edge-sharing OsPr6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrPbAu2 by Materials Project

PrAu2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a distorted body-centered cubic geometry to eight equivalent Au and six equivalent Pb atoms. All Pr–Au bond lengths are 3.17 Å. All Pr–Pb bond lengths are 3.66 Å. Au is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent Pb atoms. All Au–Pb bond lengths are 3.17 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Pr and eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Bi4Au3 by Materials Project

Pr3Au3Bi4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Au and eight equivalent Bi atoms. All Pr–Au bond lengths are 3.18 Å. There are four shorter (3.54 Å) and four longer (3.65 Å) Pr–Bi bond lengths. Au is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. All Au–Bi bond lengths are 2.92 Å. Bi is bonded in a 3-coordinate geometry to six equivalent Pr and three equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr5As2ClO10 by Materials Project

Pr5As2O10Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.47 Å) and four longer (2.56 Å) Pr–O bond lengths. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Pr–O bond distances ranging from 2.38–2.57 Å. The Pr–Cl bond length is 3.48 Å. In the third Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Pr–O bond distances ranging from 2.33–2.62 Å. Both Pr–Cl bond lengths are 3.47 Å. As3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.79 Å) and two longer (1.83 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pr3+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pr3+, one As3+, and two equivalent Cl1- atoms. Both O–Cl bond lengths are 3.31 Å. In the third O2- site, O2- is bonded to three Pr3+ and one As3+ atom to form a mixture of distorted corner and edge-sharing OPr3As tetrahedra. Cl1- is bonded in a 10-coordinate geometry to six Pr3+ and four equivalent O2- atoms.

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Materials Data on Pr3Ge13Os4 by Materials Project

Pr3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Pr–Os bond lengths are 3.25 Å. There are eight shorter (3.26 Å) and four longer (3.28 Å) Pr–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Ge atoms. All Os–Ge bond lengths are 2.52 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 Os, 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.

36 MATERIALS SCIENCE↗
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Materials Data on Pr2InAu2 by Materials Project

Pr2Au2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent In atoms. There are two shorter (3.06 Å) and four longer (3.17 Å) Pr–Au bond lengths. All Pr–In bond lengths are 3.62 Å. Au is bonded in a 9-coordinate geometry to six equivalent Pr, one Au, and two equivalent In atoms. The Au–Au bond length is 2.93 Å. Both Au–In bond lengths are 3.20 Å. In is bonded to eight equivalent Pr and four equivalent Au atoms to form a mixture of corner and face-sharing InPr8Au4 cuboctahedra.

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Materials Data on Pr3SnN by Materials Project

Pr3SnN 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 Sn and two equivalent N atoms. All Pr–Sn bond lengths are 3.58 Å. Both Pr–N bond lengths are 2.53 Å. Sn is bonded to twelve equivalent Pr atoms to form SnPr12 cuboctahedra that share corners with twelve equivalent SnPr12 cuboctahedra, faces with six equivalent SnPr12 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 SnPr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrHoAl4 by Materials Project

HoPrAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Al atoms. All Ho–Pr bond lengths are 3.45 Å. All Ho–Al bond lengths are 3.30 Å. Pr is bonded in a 12-coordinate geometry to four equivalent Ho and twelve equivalent Al atoms. All Pr–Al bond lengths are 3.30 Å. Al is bonded to three equivalent Ho, three equivalent Pr, and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlPr3Ho3Al6 cuboctahedra. All Al–Al bond lengths are 2.82 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2S2F by Materials Project

Pr2S2F is alpha Niobium phosphide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Pr2S2F cluster. Pr is bonded in a linear geometry to one S and one F atom. The Pr–S bond length is 2.39 Å. The Pr–F bond length is 2.48 Å. S is bonded in a single-bond geometry to one Pr atom. F is bonded in a linear geometry to two equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrGePd2 by Materials Project

PrPd2Ge is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to ten equivalent Pd and three equivalent Ge atoms. There are a spread of Pr–Pd bond distances ranging from 3.09–3.72 Å. There are a spread of Pr–Ge bond distances ranging from 3.13–3.17 Å. Pd is bonded in a 12-coordinate geometry to five equivalent Pr, four equivalent Pd, and three equivalent Ge atoms. There are a spread of Pd–Pd bond distances ranging from 2.80–3.19 Å. There are a spread of Pd–Ge bond distances ranging from 2.57–2.73 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrYCo4 by Materials Project

PrYCo4 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 Co atoms. All Pr–Y bond lengths are 3.15 Å. All Pr–Co bond lengths are 3.02 Å. Y is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Co atoms. All Y–Co bond lengths are 3.01 Å. Co is bonded to three equivalent Pr, three equivalent Y, and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing CoPr3Y3Co6 cuboctahedra. There are three shorter (2.56 Å) and three longer (2.58 Å) Co–Co bond lengths.

36 MATERIALS SCIENCE↗
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Materials Data on Pr3Bi4Pt3 by Materials Project

Pr3Pt3Bi4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Pt and eight equivalent Bi atoms. All Pr–Pt bond lengths are 3.12 Å. There are four shorter (3.49 Å) and four longer (3.56 Å) Pr–Bi bond lengths. Pt is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. All Pt–Bi bond lengths are 2.86 Å. Bi is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KPr9(Si3O13)2 by Materials Project

Pr9K(SiO4)6O2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.02 Å. 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 2.46–2.79 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 2.46–2.85 Å. In the third Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.46–2.91 Å. In the fourth 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 2.30–2.76 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 2.33–2.64 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.61 Å) and three longer (1.66 Å) Si–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, two Pr3+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, two Pr3+, and one Si4+ atom. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Pr3+ atoms. In the ninth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Pr3+ atoms. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, two Pr3+, and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAsPd by Materials Project

PrPdAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to six equivalent Pd and six equivalent As atoms to form a mixture of edge and face-sharing PrAs6Pd6 cuboctahedra. All Pr–Pd bond lengths are 3.22 Å. All Pr–As bond lengths are 3.22 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent As atoms. All Pd–As bond lengths are 2.54 Å. As is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Pd atoms.

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