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At least 847 records · Page 47
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DOE OSTI2020

Materials Data on AlPPt5 by Materials Project

Pt5AlP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a distorted water-like geometry to two equivalent Pt, two equivalent Al3+, and two equivalent P3- atoms. Both Pt–Pt bond lengths are 2.79 Å. Both Pt–Al bond lengths are 2.79 Å. Both Pt–P bond lengths are 2.46 Å. In the second Pt site, Pt is bonded to eight equivalent Pt and four equivalent Al3+ atoms to form distorted PtAl4Pt8 cuboctahedra that share corners with four equivalent PtAl4Pt8 cuboctahedra, faces with four equivalent PtAl4Pt8 cuboctahedra, and faces with four equivalent AlPt12 cuboctahedra. All Pt–Al bond lengths are 2.80 Å. Al3+ is bonded to twelve Pt atoms to form distorted AlPt12 cuboctahedra that share corners with four equivalent AlPt12 cuboctahedra, faces with four equivalent PtAl4Pt8 cuboctahedra, and faces with four equivalent AlPt12 cuboctahedra. P3- is bonded in a body-centered cubic geometry to eight equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiSbPt5 by Materials Project

Pt5SiSb crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded in a 2-coordinate geometry to two equivalent Pt+0.40-, two equivalent Si4+, and two equivalent Sb2- atoms. Both Pt–Pt bond lengths are 2.95 Å. Both Pt–Si bond lengths are 2.47 Å. Both Pt–Sb bond lengths are 2.95 Å. In the second Pt+0.40- site, Pt+0.40- is bonded to eight equivalent Pt+0.40- and four equivalent Sb2- atoms to form distorted PtSb4Pt8 cuboctahedra that share corners with four equivalent PtSb4Pt8 cuboctahedra, faces with four equivalent PtSb4Pt8 cuboctahedra, and faces with four equivalent SbPt12 cuboctahedra. All Pt–Sb bond lengths are 2.84 Å. Si4+ is bonded in a body-centered cubic geometry to eight equivalent Pt+0.40- atoms. Sb2- is bonded to twelve Pt+0.40- atoms to form SbPt12 cuboctahedra that share corners with four equivalent SbPt12 cuboctahedra, faces with four equivalent PtSb4Pt8 cuboctahedra, and faces with four equivalent SbPt12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdPt3 by Materials Project

Pt3Cd crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to ten Pt+0.67- and two equivalent Cd2+ atoms to form a mixture of distorted corner, edge, and face-sharing PtCd2Pt10 cuboctahedra. There are eight shorter (2.85 Å) and two longer (2.88 Å) Pt–Pt bond lengths. Both Pt–Cd bond lengths are 2.90 Å. In the second Pt+0.67- site, Pt+0.67- is bonded to eight Pt+0.67- and four equivalent Cd2+ atoms to form distorted PtCd4Pt8 cuboctahedra that share corners with twelve equivalent PtCd4Pt8 cuboctahedra, edges with sixteen PtCd2Pt10 cuboctahedra, and faces with fourteen PtCd2Pt10 cuboctahedra. There are two shorter (2.88 Å) and two longer (2.90 Å) Pt–Pt bond lengths. All Pt–Cd bond lengths are 2.85 Å. Cd2+ is bonded in a 10-coordinate geometry to ten Pt+0.67- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgPt3 by Materials Project

Pt3Hg crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to ten Pt+0.67- and two equivalent Hg2+ atoms to form PtHg2Pt10 cuboctahedra that share corners with twelve equivalent PtHg2Pt10 cuboctahedra, edges with four equivalent HgHg2Pt10 cuboctahedra, edges with twenty PtHg2Pt10 cuboctahedra, faces with eight equivalent HgHg2Pt10 cuboctahedra, and faces with ten PtHg2Pt10 cuboctahedra. There are eight shorter (2.86 Å) and two longer (2.91 Å) Pt–Pt bond lengths. Both Pt–Hg bond lengths are 2.91 Å. In the second Pt+0.67- site, Pt+0.67- is bonded to eight Pt+0.67- and four equivalent Hg2+ atoms to form distorted PtHg4Pt8 cuboctahedra that share corners with twelve equivalent PtHg4Pt8 cuboctahedra, edges with eight equivalent HgHg2Pt10 cuboctahedra, edges with sixteen PtHg2Pt10 cuboctahedra, faces with four equivalent HgHg2Pt10 cuboctahedra, and faces with fourteen PtHg2Pt10 cuboctahedra. All Pt–Pt bond lengths are 2.91 Å. All Pt–Hg bond lengths are 2.86 Å. Hg2+ is bonded to ten Pt+0.67- and two equivalent Hg2+ atoms to form distorted HgHg2Pt10 cuboctahedra that share corners with twelve equivalent HgHg2Pt10 cuboctahedra, edges with four equivalent HgHg2Pt10 cuboctahedra, edges with twenty PtHg2Pt10 cuboctahedra, faces with two equivalent HgHg2Pt10 cuboctahedra, and faces with sixteen PtHg2Pt10 cuboctahedra. Both Hg–Hg bond lengths are 2.91 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSbPt5 by Materials Project

CePt5Sb crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to twelve Pt+1.20- atoms to form CePt12 cuboctahedra that share corners with six equivalent CePt12 cuboctahedra, edges with six equivalent CePt12 cuboctahedra, and edges with six equivalent SbPt4 tetrahedra. There are six shorter (3.18 Å) and six longer (3.33 Å) Ce–Pt bond lengths. In the second Ce3+ site, Ce3+ is bonded to twelve Pt+1.20- atoms to form distorted CePt12 cuboctahedra that share corners with six equivalent CePt12 cuboctahedra, edges with six equivalent CePt12 cuboctahedra, and faces with two equivalent SbPt4 tetrahedra. There are six shorter (3.12 Å) and six longer (3.35 Å) Ce–Pt bond lengths. There are three inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a 1-coordinate geometry to two Ce3+ and one Sb3+ atom. The Pt–Sb bond length is 2.64 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to three equivalent Ce3+ and one Sb3+ atom. The Pt–Sb bond length is 2.54 Å. In the third Pt+1.20- site, Pt+1.20- is bonded in a 3-coordinate geometry to three equivalent Ce3+ atoms. Sb3+ is bonded to four Pt+1.20- atoms to form distorted SbPt4 tetrahedra that share edges with three equivalent CePt12 cuboctahedra and a faceface with one CePt12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe2CuNiPt4 by Materials Project

Fe2Pt4NiCu crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent Fe+2.50+ sites. In the first Fe+2.50+ site, Fe+2.50+ is bonded in a body-centered cubic geometry to eight Pt2- atoms. All Fe–Pt bond lengths are 2.68 Å. In the second Fe+2.50+ site, Fe+2.50+ is bonded in a body-centered cubic geometry to eight Pt2- atoms. There are four shorter (2.66 Å) and four longer (2.69 Å) Fe–Pt bond lengths. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to four equivalent Pt2-, four equivalent Ni2+, and four equivalent Cu1+ atoms to form distorted PtCu4Ni4Pt4 cuboctahedra that share corners with twelve PtCu4Ni4Pt4 cuboctahedra, edges with eight PtFe4Ni4Pt4 cuboctahedra, and faces with ten PtCu4Ni4Pt4 cuboctahedra. All Pt–Pt bond lengths are 2.72 Å. All Pt–Ni bond lengths are 2.63 Å. All Pt–Cu bond lengths are 2.69 Å. In the second Pt2- site, Pt2- is bonded to four equivalent Fe+2.50+, four equivalent Pt2-, and four equivalent Ni2+ atoms to form a mixture of distorted edge, corner, and face-sharing PtFe4Ni4Pt4 cuboctahedra. All Pt–Pt bond lengths are 2.72 Å. All Pt–Ni bond lengths are 2.68 Å. In the third Pt2- site, Pt2- is bonded to eight Fe+2.50+ and four equivalent Pt2- atoms to form a mixture of distorted edge, corner, and face-sharing PtFe8Pt4 cuboctahedra. All Pt–Pt bond lengths are 2.72 Å. In the fourth Pt2- site, Pt2- is bonded to four equivalent Fe+2.50+, four equivalent Pt2-, and four equivalent Cu1+ atoms to form a mixture of distorted edge, corner, and face-sharing PtFe4Cu4Pt4 cuboctahedra. All Pt–Pt bond lengths are 2.72 Å. All Pt–Cu bond lengths are 2.70 Å. Ni2+ is bonded in a body-centered cubic geometry to eight Pt2- atoms. Cu1+ is bonded in a distorted body-centered cubic geometry to eight Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlPt3 by Materials Project

Pt3Al crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to eight equivalent Pt and four equivalent Al atoms to form distorted PtAl4Pt8 cuboctahedra that share corners with twelve equivalent PtAl4Pt8 cuboctahedra, edges with eight equivalent AlPt12 cuboctahedra, faces with four equivalent AlPt12 cuboctahedra, and faces with six equivalent PtAl4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.79 Å. All Pt–Al bond lengths are 2.76 Å. In the second Pt site, Pt is bonded in a 2-coordinate geometry to eight Pt and four equivalent Al atoms. All Pt–Pt bond lengths are 2.78 Å. There are two shorter (2.62 Å) and two longer (2.95 Å) Pt–Al bond lengths. Al is bonded to twelve Pt atoms to form AlPt12 cuboctahedra that share corners with twelve equivalent AlPt12 cuboctahedra, edges with eight equivalent PtAl4Pt8 cuboctahedra, faces with four equivalent PtAl4Pt8 cuboctahedra, and faces with six equivalent AlPt12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca10Si3Pt7 by Materials Project

Ca10Pt7Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to five Pt+1.14- and two equivalent Si4- atoms. There are a spread of Ca–Pt bond distances ranging from 2.93–3.17 Å. Both Ca–Si bond lengths are 3.11 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six equivalent Pt+1.14- atoms. All Ca–Pt bond lengths are 3.01 Å. In the third Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to six equivalent Pt+1.14- and three equivalent Si4- atoms. All Ca–Pt bond lengths are 3.39 Å. All Ca–Si bond lengths are 3.20 Å. There are two inequivalent Pt+1.14- sites. In the first Pt+1.14- site, Pt+1.14- is bonded in a 9-coordinate geometry to six equivalent Ca2+ and three equivalent Si4- atoms. All Pt–Si bond lengths are 2.48 Å. In the second Pt+1.14- site, Pt+1.14- is bonded in a 9-coordinate geometry to eight Ca2+ and one Si4- atom. The Pt–Si bond length is 2.37 Å. Si4- is bonded in a 3-coordinate geometry to six Ca2+ and three Pt+1.14- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Tuning the Interaction between Platinum Single Atoms and Ceria by Zirconia Doping for Efficient Catalytic Ammonia Oxidation

Aiming at the development of an efficient NH 3 oxidation catalyst to eliminate the harmful NH 3 slip from the stationary flue gas denitrification system and diesel exhaust aftertreatment system, a facile ZrO 2 doping strategy was proposed to construct Pt 1 /Ce x Zr 1–x O 2 catalysts with a tunable Pt-CeO 2 interaction strength and Pt–O–Ce coordination environment. According to the results of systematic characterizations, Pt species supported on Ce x Zr 1–x O 2 were mainly in the form of single atoms when x ≥ 0.7, and the strength of the Pt-CeO 2 interaction and the coordination number of Pt–O–Ce bond (CN Pt–O–Ce ) on Pt 1 /Ce x Zr 1–x O 2 showed a volcanic change as a function of the ZrO 2 doping amount. Here, it was proposed that the balance between the reasonable concentration of oxygen defects and limited surface Zr–O x species well accounted for the strongest Pt-CeO 2 interaction and the highest CN Pt–O–Ce on Pt/Ce 0.9 Zr 0.1 O 2 . It was observed that the Pt/Ce 0.9 Zr 0.1 O 2 catalyst exhibited much higher NH 3 oxidation activity than other Pt/Ce x Zr 1–x O 2 catalysts. The mechanism study revealed that the Pt 1 species with the stronger Pt-CeO 2 interaction and higher CN Pt–O–Ce within Pt/Ce 0.9 Zr 0.1 O 2 could better activate NH 3 adsorbed on Lewis acid sites to react with O 2 thus resulting in superior NH 3 oxidation activity. This work provides a new approach for designing highly efficient Pt/CeO 2 based catalysts for low-temperature NH 3 oxidation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrPt5 by Materials Project

Pt5Pr crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted hexagonal planar geometry to eighteen Pt+0.60- atoms. There are six shorter (3.14 Å) and twelve longer (3.51 Å) Pr–Pt bond lengths. There are two inequivalent Pt+0.60- sites. In the first Pt+0.60- site, Pt+0.60- is bonded in a 12-coordinate geometry to three equivalent Pr3+ and six equivalent Pt+0.60- atoms. All Pt–Pt bond lengths are 2.72 Å. In the second Pt+0.60- site, Pt+0.60- is bonded to four equivalent Pr3+ and eight Pt+0.60- atoms to form a mixture of corner, edge, and face-sharing PtPr4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.72 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaPt5 by Materials Project

Pt5La crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La3+ is bonded in a distorted hexagonal planar geometry to eighteen Pt+0.60- atoms. There are six shorter (3.15 Å) and twelve longer (3.52 Å) La–Pt bond lengths. There are two inequivalent Pt+0.60- sites. In the first Pt+0.60- site, Pt+0.60- is bonded in a 12-coordinate geometry to three equivalent La3+ and six equivalent Pt+0.60- atoms. All Pt–Pt bond lengths are 2.73 Å. In the second Pt+0.60- site, Pt+0.60- is bonded to four equivalent La3+ and eight Pt+0.60- atoms to form a mixture of face, edge, and corner-sharing PtLa4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.73 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al21Pt8 by Materials Project

Al21Pt8 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Pt–Al bond distances ranging from 2.57–2.76 Å. In the second Pt site, Pt is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Pt–Al bond distances ranging from 2.55–3.12 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Pt atoms to form distorted corner-sharing AlPt4 tetrahedra. In the second Al site, Al is bonded in a 3-coordinate geometry to three Pt atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to four Pt atoms. In the fourth Al site, Al is bonded in a 4-coordinate geometry to four Pt atoms. In the fifth Al site, Al is bonded to four Pt atoms to form a mixture of distorted edge and corner-sharing AlPt4 tetrahedra. In the sixth Al site, Al is bonded in a 4-coordinate geometry to four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PtBr3 by Materials Project

PtBr3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six Br atoms to form PtBr6 octahedra that share a cornercorner with one PtBr5 square pyramid and edges with two equivalent PtBr6 octahedra. There are a spread of Pt–Br bond distances ranging from 2.47–2.61 Å. In the second Pt site, Pt is bonded to five Br atoms to form PtBr5 square pyramids that share a cornercorner with one PtBr6 octahedra and corners with four equivalent PtBr5 square pyramids. The corner-sharing octahedral tilt angles are 5°. There are a spread of Pt–Br bond distances ranging from 2.47–3.05 Å. There are six inequivalent Br sites. In the first Br site, Br is bonded in a linear geometry to two Pt atoms. In the second Br site, Br is bonded in a single-bond geometry to one Pt atom. In the third Br site, Br is bonded in an L-shaped geometry to two equivalent Pt atoms. In the fourth Br site, Br is bonded in an L-shaped geometry to two equivalent Pt atoms. In the fifth Br site, Br is bonded in an L-shaped geometry to two equivalent Pt atoms. In the sixth Br site, Br is bonded in an L-shaped geometry to two equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdPt5 by Materials Project

NdPt5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a distorted hexagonal planar geometry to eighteen Pt+0.60- atoms. There are six shorter (3.13 Å) and twelve longer (3.51 Å) Nd–Pt bond lengths. There are two inequivalent Pt+0.60- sites. In the first Pt+0.60- site, Pt+0.60- is bonded in a 12-coordinate geometry to three equivalent Nd3+ and six equivalent Pt+0.60- atoms. All Pt–Pt bond lengths are 2.72 Å. In the second Pt+0.60- site, Pt+0.60- is bonded to four equivalent Nd3+ and eight Pt+0.60- atoms to form a mixture of corner, edge, and face-sharing PtNd4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.71 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu(PtS2)2 by Materials Project

Cu(PtS2)2 is Spinel-like structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are three inequivalent Pt+3.50+ sites. In the first Pt+3.50+ site, Pt+3.50+ is bonded to six S2- atoms to form PtS6 octahedra that share corners with six equivalent CuS4 tetrahedra and edges with six PtS6 octahedra. There are a spread of Pt–S bond distances ranging from 2.40–2.43 Å. In the second Pt+3.50+ site, Pt+3.50+ is bonded to six S2- atoms to form distorted PtS6 octahedra that share corners with two equivalent PtS6 octahedra, corners with four equivalent CuS4 tetrahedra, and edges with six PtS6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are four shorter (2.34 Å) and two longer (2.93 Å) Pt–S bond lengths. In the third Pt+3.50+ site, Pt+3.50+ is bonded to six S2- atoms to form PtS6 octahedra that share corners with two equivalent PtS6 octahedra, corners with four equivalent CuS4 tetrahedra, and edges with six PtS6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are four shorter (2.40 Å) and two longer (2.45 Å) Pt–S bond lengths. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with ten PtS6 octahedra and an edgeedge with one CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–62°. There are a spread of Cu–S bond distances ranging from 2.31–2.39 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Pt+3.50+ and two equivalent Cu1+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four Pt+3.50+ atoms. In the third S2- site, S2- is bonded to three Pt+3.50+ and one Cu1+ atom to form a mixture of distorted corner and edge-sharing SCuPt3 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaPt5 by Materials Project

CaPt5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted hexagonal planar geometry to eighteen Pt+0.40- atoms. There are six shorter (3.12 Å) and twelve longer (3.49 Å) Ca–Pt bond lengths. There are two inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded in a 3-coordinate geometry to three equivalent Ca2+ and six equivalent Pt+0.40- atoms. All Pt–Pt bond lengths are 2.71 Å. In the second Pt+0.40- site, Pt+0.40- is bonded to four equivalent Ca2+ and eight Pt+0.40- atoms to form a mixture of face, edge, and corner-sharing PtCa4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.70 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr7Pt3 by Materials Project

Sr7Pt3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded to four Pt atoms to form a mixture of distorted edge and corner-sharing SrPt4 tetrahedra. There are a spread of Sr–Pt bond distances ranging from 3.18–3.32 Å. In the second Sr site, Sr is bonded in a 3-coordinate geometry to three equivalent Pt atoms. There are a spread of Sr–Pt bond distances ranging from 3.07–3.29 Å. In the third Sr site, Sr is bonded in a bent 150 degrees geometry to two equivalent Pt atoms. There are one shorter (3.05 Å) and one longer (3.06 Å) Sr–Pt bond lengths. In the fourth Sr site, Sr is bonded in a 3-coordinate geometry to three Pt atoms. There are a spread of Sr–Pt bond distances ranging from 3.07–3.57 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to seven Sr atoms to form a mixture of distorted edge and corner-sharing PtSr7 pentagonal bipyramids. In the second Pt site, Pt is bonded in a 8-coordinate geometry to eight Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr12InPt7 by Materials Project

Pr12Pt7In crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to five Pt and one In atom. There are a spread of Pr–Pt bond distances ranging from 3.00–3.45 Å. The Pr–In bond length is 3.41 Å. In the second Pr site, Pr is bonded in a 2-coordinate geometry to five Pt atoms. There are a spread of Pr–Pt bond distances ranging from 2.87–3.72 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to four Pt atoms. There are two shorter (2.95 Å) and two longer (3.14 Å) Pr–Pt bond lengths. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to eight Pr atoms. In the second Pt site, Pt is bonded in a 6-coordinate geometry to nine Pr atoms. In the third Pt site, Pt is bonded in a 8-coordinate geometry to eight equivalent Pr atoms. In is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗