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DOE OSTI2020

Materials Data on Li3Sn3Pt2 by Materials Project

Li3Pt2Sn3 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to four Li, four Pt, and six equivalent Sn atoms. There are one shorter (2.77 Å) and three longer (2.93 Å) Li–Li bond lengths. There are one shorter (2.91 Å) and three longer (3.02 Å) Li–Pt bond lengths. All Li–Sn bond lengths are 3.11 Å. In the second Li site, Li is bonded in a 7-coordinate geometry to two equivalent Li, one Pt, and six equivalent Sn atoms. The Li–Pt bond length is 2.84 Å. There are a spread of Li–Sn bond distances ranging from 2.73–3.02 Å. In the third Li site, Li is bonded in a 6-coordinate geometry to two equivalent Li and six equivalent Sn atoms. All Li–Sn bond lengths are 2.86 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three Li and six equivalent Sn atoms. There are a spread of Pt–Sn bond distances ranging from 2.77–2.83 Å. In the second Pt site, Pt is bonded in a distorted body-centered cubic geometry to two equivalent Li and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.85 Å. Sn is bonded in a 10-coordinate geometry to six Li and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Pt4 by Materials Project

Ce3Pt4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ce is bonded in a 9-coordinate geometry to nine Pt atoms. There are a spread of Ce–Pt bond distances ranging from 2.89–3.34 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six equivalent Ce atoms. In the second Pt site, Pt is bonded in a 6-coordinate geometry to six equivalent Ce atoms. In the third Pt site, Pt is bonded in a 10-coordinate geometry to seven equivalent Ce and three equivalent Pt atoms. There are one shorter (2.92 Å) and two longer (3.02 Å) Pt–Pt bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PdPt3 by Materials Project

Pt3Pd is alpha La-derived structured and crystallizes in the tetragonal I4/mmm 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 eight Pt+0.67- and four equivalent Pd2+ atoms to form PtPd4Pt8 cuboctahedra that share corners with twelve equivalent PtPd4Pt8 cuboctahedra, edges with eight equivalent PdPt12 cuboctahedra, edges with sixteen PtPd4Pt8 cuboctahedra, faces with four equivalent PdPt12 cuboctahedra, and faces with fourteen PtPd4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.81 Å. All Pt–Pd bond lengths are 2.81 Å. In the second Pt+0.67- site, Pt+0.67- is bonded to eight equivalent Pt+0.67- and four equivalent Pd2+ atoms to form PtPd4Pt8 cuboctahedra that share corners with four equivalent PtPd4Pt8 cuboctahedra, corners with eight equivalent PdPt12 cuboctahedra, edges with twenty-four PtPd4Pt8 cuboctahedra, faces with six equivalent PdPt12 cuboctahedra, and faces with twelve PtPd4Pt8 cuboctahedra. All Pt–Pd bond lengths are 2.81 Å. Pd2+ is bonded to twelve Pt+0.67- atoms to form PdPt12 cuboctahedra that share corners with four equivalent PdPt12 cuboctahedra, corners with eight equivalent PtPd4Pt8 cuboctahedra, edges with eight equivalent PdPt12 cuboctahedra, edges with sixteen equivalent PtPd4Pt8 cuboctahedra, faces with four equivalent PdPt12 cuboctahedra, and faces with fourteen PtPd4Pt8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlPt3 by Materials Project

Pt3Al is Uranium Silicide-like structured and crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to eight 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, edges with sixteen PtAl4Pt8 cuboctahedra, faces with four equivalent AlPt12 cuboctahedra, and faces with fourteen PtAl4Pt8 cuboctahedra. There are four shorter (2.77 Å) and four longer (2.78 Å) Pt–Pt bond lengths. There are two shorter (2.71 Å) and two longer (2.85 Å) Pt–Al bond lengths. In the second 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, edges with sixteen equivalent PtAl4Pt8 cuboctahedra, faces with four equivalent AlPt12 cuboctahedra, and faces with fourteen PtAl4Pt8 cuboctahedra. All Pt–Al bond lengths are 2.77 Å. Al is bonded to twelve Pt atoms to form AlPt12 cuboctahedra that share corners with twelve equivalent AlPt12 cuboctahedra, edges with twenty-four PtAl4Pt8 cuboctahedra, faces with six equivalent AlPt12 cuboctahedra, and faces with twelve PtAl4Pt8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Pt4 by Materials Project

Ho3Pt4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ho is bonded in a 9-coordinate geometry to nine Pt atoms. There are a spread of Ho–Pt bond distances ranging from 2.86–3.28 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six equivalent Ho atoms. In the second Pt site, Pt is bonded in a distorted octahedral geometry to six equivalent Ho atoms. In the third Pt site, Pt is bonded in a 10-coordinate geometry to seven equivalent Ho and three equivalent Pt atoms. There are one shorter (2.88 Å) and two longer (2.96 Å) Pt–Pt bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3Pt4 by Materials Project

Dy3Pt4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Dy is bonded in a 9-coordinate geometry to nine Pt atoms. There are a spread of Dy–Pt bond distances ranging from 2.86–3.35 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six equivalent Dy atoms. In the second Pt site, Pt is bonded in a distorted octahedral geometry to six equivalent Dy atoms. In the third Pt site, Pt is bonded in a 10-coordinate geometry to seven equivalent Dy and three equivalent Pt atoms. There are one shorter (2.91 Å) and two longer (2.96 Å) Pt–Pt bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3Pt4 by Materials Project

Er3Pt4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Er is bonded in a 9-coordinate geometry to nine Pt atoms. There are a spread of Er–Pt bond distances ranging from 2.85–3.26 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six equivalent Er atoms. In the second Pt site, Pt is bonded in a distorted octahedral geometry to six equivalent Er atoms. In the third Pt site, Pt is bonded in a 10-coordinate geometry to seven equivalent Er and three equivalent Pt atoms. There are one shorter (2.86 Å) and two longer (2.96 Å) Pt–Pt bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi16Pt11I6 by Materials Project

Pt11Bi16I6 crystallizes in the tetragonal P42_12 space group. The structure is three-dimensional. there are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted octahedral geometry to four equivalent Pt2- and six Bi+1.75+ atoms. All Pt–Pt bond lengths are 3.22 Å. There are a spread of Pt–Bi bond distances ranging from 2.73–2.97 Å. In the second Pt2- site, Pt2- is bonded in a 10-coordinate geometry to four Pt2- and six Bi+1.75+ atoms. There are two shorter (2.87 Å) and two longer (2.96 Å) Pt–Pt bond lengths. There are a spread of Pt–Bi bond distances ranging from 2.84–3.05 Å. In the third Pt2- site, Pt2- is bonded in a 10-coordinate geometry to three Pt2- and seven Bi+1.75+ atoms. The Pt–Pt bond length is 2.91 Å. There are a spread of Pt–Bi bond distances ranging from 2.86–3.10 Å. In the fourth Pt2- site, Pt2- is bonded in a 10-coordinate geometry to four Pt2- and six Bi+1.75+ atoms. There are one shorter (2.78 Å) and one longer (2.90 Å) Pt–Pt bond lengths. There are a spread of Pt–Bi bond distances ranging from 2.83–3.06 Å. There are six inequivalent Bi+1.75+ sites. In the first Bi+1.75+ site, Bi+1.75+ is bonded in a square pyramidal geometry to one Pt2- and four equivalent I1- atoms. All Bi–I bond lengths are 3.15 Å. In the second Bi+1.75+ site, Bi+1.75+ is bonded in a 5-coordinate geometry to five Pt2- atoms. In the third Bi+1.75+ site, Bi+1.75+ is bonded in a distorted hexagonal planar geometry to four equivalent Pt2- and two equivalent I1- atoms. Both Bi–I bond lengths are 3.50 Å. In the fourth Bi+1.75+ site, Bi+1.75+ is bonded in a 7-coordinate geometry to five Pt2- and two equivalent I1- atoms. There are one shorter (3.65 Å) and one longer (3.77 Å) Bi–I bond lengths. In the fifth Bi+1.75+ site, Bi+1.75+ is bonded in a 7-coordinate geometry to four Pt2- and three I1- atoms. There are one shorter (3.66 Å) and two longer (3.80 Å) Bi–I bond lengths. In the sixth Bi+1.75+ site, Bi+1.75+ is bonded in a 7-coordinate geometry to five Pt2- and two equivalent I1- atoms. There are one shorter (3.70 Å) and one longer (3.73 Å) Bi–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to four Bi+1.75+ atoms. In the second I1- site, I1- is bonded in a 1-coordinate geometry to seven Bi+1.75+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2Ge5Pt3 by Materials Project

Sm2Pt3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to seven Pt and ten Ge atoms. There are a spread of Sm–Pt bond distances ranging from 3.19–3.55 Å. There are a spread of Sm–Ge bond distances ranging from 3.04–3.40 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to four equivalent Sm and six Ge atoms. There are four shorter (2.57 Å) and two longer (2.71 Å) Pt–Ge bond lengths. In the second Pt site, Pt is bonded in a 10-coordinate geometry to five equivalent Sm and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.44–2.55 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Pt atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sm, three Pt, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.68 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sm, three Pt, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3(ZnPt)4 by Materials Project

La3(PtZn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to six Pt atoms to form edge-sharing LaPt6 octahedra. There are four shorter (3.09 Å) and two longer (3.15 Å) La–Pt bond lengths. In the second La site, La is bonded in a 12-coordinate geometry to six Pt and six equivalent Zn atoms. There are two shorter (3.06 Å) and four longer (3.17 Å) La–Pt bond lengths. There are four shorter (3.19 Å) and two longer (3.22 Å) La–Zn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three La and six equivalent Zn atoms. There are four shorter (2.63 Å) and two longer (2.81 Å) Pt–Zn bond lengths. In the second Pt site, Pt is bonded in a 8-coordinate geometry to six La and two equivalent Zn atoms. Both Pt–Zn bond lengths are 2.65 Å. Zn is bonded in a 4-coordinate geometry to three equivalent La and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2Si5Pt3 by Materials Project

Sm2Pt3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Sm3+ is bonded in a 1-coordinate geometry to seven Pt+0.67- and ten Si+0.80- atoms. There are a spread of Sm–Pt bond distances ranging from 3.12–3.44 Å. There are a spread of Sm–Si bond distances ranging from 3.04–3.29 Å. There are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a 6-coordinate geometry to four equivalent Sm3+ and six Si+0.80- atoms. There are four shorter (2.50 Å) and two longer (2.63 Å) Pt–Si bond lengths. In the second Pt+0.67- site, Pt+0.67- is bonded in a 5-coordinate geometry to five equivalent Sm3+ and five Si+0.80- atoms. There are a spread of Pt–Si bond distances ranging from 2.40–2.46 Å. There are three inequivalent Si+0.80- sites. In the first Si+0.80- site, Si+0.80- is bonded in a 9-coordinate geometry to four equivalent Sm3+, three Pt+0.67-, and two equivalent Si+0.80- atoms. Both Si–Si bond lengths are 2.53 Å. In the second Si+0.80- site, Si+0.80- is bonded in a 9-coordinate geometry to four equivalent Sm3+, three Pt+0.67-, and two equivalent Si+0.80- atoms. In the third Si+0.80- site, Si+0.80- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Pt+0.67- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2Si5Pt3 by Materials Project

Ca2Pt3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Ca2+ is bonded in a 1-coordinate geometry to three equivalent Pt and ten Si+0.80- atoms. There are one shorter (3.13 Å) and two longer (3.22 Å) Ca–Pt bond lengths. There are a spread of Ca–Si bond distances ranging from 3.04–3.29 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six Si+0.80- atoms. There are four shorter (2.49 Å) and two longer (2.68 Å) Pt–Si bond lengths. In the second Pt site, Pt is bonded in a 5-coordinate geometry to three equivalent Ca2+ and five Si+0.80- atoms. There are a spread of Pt–Si bond distances ranging from 2.38–2.47 Å. There are three inequivalent Si+0.80- sites. In the first Si+0.80- site, Si+0.80- is bonded in a 9-coordinate geometry to four equivalent Ca2+, three Pt, and two equivalent Si+0.80- atoms. Both Si–Si bond lengths are 2.53 Å. In the second Si+0.80- site, Si+0.80- is bonded in a 2-coordinate geometry to four equivalent Ca2+, three Pt, and two equivalent Si+0.80- atoms. In the third Si+0.80- site, Si+0.80- is bonded in a 4-coordinate geometry to four equivalent Ca2+ and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Review—Development of Highly Active and Durable Hybrid Compressive Platinum Lattice Catalysts for Polymer Electrolyte Membrane Fuel Cells: Mathematical Modeling and Experimental Work

This review provides a comprehensive overview on the development of highly active and durable platinum catalysts with ultra-low Pt loadings for polymer electrolyte membrane fuel cells (PEMFCs) through a combined mathematical modeling and experimental work. First, simulation techniques were applied to evaluate the validity of the Tafel approximation for the calculation of the mass activity (MA) and specific activity (SA). A one-dimensional agglomeration model was developed and solved to understand the effects of exchange current density, porosity, agglomerate size, Nafion ® film thickness, and Pt loading on the MA and SA. High porosity (> 60%) and agglomerations at high Pt loadings cause the loss of the Tafel approximation and consequently the decrease in MA and SA. A new structure parameter was introduced to estimate the real porous structure using the fractal theory. The volumetric catalyst density was corrected by the fractal dimension (measured by Hg porosimetry), which gave a good agreement with the experimental values. The loading-dependent Tafel equation was then derived, which contains both the utilization and the non-linear scaling factor. Second, activated carbon composite support (ACCS) with optimized surface area, porosity, pore size, and pore size distribution was developed. The hydrophilic/hydrophobic ratio, structural properties (amorphous/crystalline ratio), and the number of active sites were optimized through metal-catalyzed pyrolysis. Stability of ACCS and Pt/ACCS were evaluated using an accelerated stress test (AST). The results indicated that Pt/ACCS showed no significant loss of MA and power density after 5,000 cycles at 1.0–1.5 V, while the commercial Pt/C catalysts showed drastic losses of MA and power density. Finally, monolayers of compressed Pt (core–shell-type Pt 3 Co 1 ) catalysts were structured by diffusing Co atoms (previously embedded in ACCS) into Pt. Compressive Pt lattice (Pt * ) catalysts were synthesized through an annealing procedure developed at the University of South Carolina (USC). The Pt * /ACCS catalyst showed high initial power density (rated) of 0.174 g Pt kW −1 and high stability (24 mV loss) at 0.8 A cm −2 after 30,000 cycles (0.6–1.0 V). The outstanding performance of Pt * /ACCS is due to the synergistic effect of ACCS and compressive Pt * lattice.

25 ENERGY STORAGE↗
DOE OSTI2020

Microstructural Evolution and ORR Activity of Nanocolumnar Platinum Thin Films with Different Mass Loadings Grown by High Pressure Sputtering

Nanocolumnar platinum thin films (Pt-TFs) with different Pt mass loadings were grown by high pressure sputtering (HIPS) and investigated as oxygen reduction reaction (ORR) electrocatalysts for polymer electrolyte membrane fuel cell applications. Mass loading was controlled by changing the sputter deposition time. A cauliflower-like columnar microstructure was achieved by depositing the Pt-TFs onto a microporous layer (MPL)-like surface composed of carbon particles in order to mimic catalyst-coated gas diffusion electrodes. Microstructural evolution of HIPS Pt-TFs and their ORR activity were investigated. Electrochemical characterization of the nanocolumnar Pt-TFs was performed by cyclic voltammetry and rotating disk electrode measurements on Pt-TF/MPL-like-layer/glassy-carbon samples in an aqueous perchloric acid electrolyte. The electrochemically active surface area increased from 18 to 39 m 2 g –1 as the Pt mass loading was decreased. Specific activity of the films was similar (~600 μA cm –2 ) for all Pt mass loadings, due to the similar nanoparticle sizes of ~5 nm as observed by transmission electron microscopy and X-ray diffraction. Furthermore, mass activity of the films increased from 0.11 to 0.26 A mg –1 as the Pt mass loading was decreased, which is an indication of the effective Pt utilization and better access through the catalyst layer at lower Pt mass loadings.

08 HYDROGEN↗
DOE OSTI2020

Materials Data on SiPt3 by Materials Project

Pt3Si crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Pt3Si sheets oriented in the (0, 1, 0) direction. there are three inequivalent Pt+1.33+ sites. In the first Pt+1.33+ site, Pt+1.33+ is bonded in a distorted water-like geometry to two equivalent Si4- atoms. There are one shorter (2.37 Å) and one longer (2.54 Å) Pt–Si bond lengths. In the second Pt+1.33+ site, Pt+1.33+ is bonded in an L-shaped geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.46 Å. In the third Pt+1.33+ site, Pt+1.33+ is bonded in a water-like geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.45 Å. Si4- is bonded in a 6-coordinate geometry to six Pt+1.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho(SiPt)2 by Materials Project

HoPt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to eight Pt and eight Si atoms. There are four shorter (3.20 Å) and four longer (3.26 Å) Ho–Pt bond lengths. There are four shorter (3.19 Å) and four longer (3.21 Å) Ho–Si bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Ho and five Si atoms. There are one shorter (2.38 Å) and four longer (2.43 Å) Pt–Si bond lengths. In the second Pt site, Pt is bonded to four equivalent Ho and four equivalent Si atoms to form distorted PtHo4Si4 tetrahedra that share corners with twelve equivalent SiHo4Pt4 tetrahedra, edges with two equivalent SiHo4Pt4 tetrahedra, edges with four equivalent PtHo4Si4 tetrahedra, and faces with four equivalent PtHo4Si4 tetrahedra. All Pt–Si bond lengths are 2.48 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Ho and five Pt atoms. In the second Si site, Si is bonded to four equivalent Ho and four equivalent Pt atoms to form distorted SiHo4Pt4 tetrahedra that share corners with twelve equivalent PtHo4Si4 tetrahedra, edges with two equivalent PtHo4Si4 tetrahedra, edges with four equivalent SiHo4Pt4 tetrahedra, and faces with four equivalent SiHo4Pt4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(GePt)2 by Materials Project

Ce(PtGe)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight Pt and eight Ge atoms. There are four shorter (3.34 Å) and four longer (3.35 Å) Ce–Pt bond lengths. There are four shorter (3.30 Å) and four longer (3.35 Å) Ce–Ge bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Ge atoms. All Pt–Ge bond lengths are 2.55 Å. In the second Pt site, Pt is bonded in a 5-coordinate geometry to four equivalent Ce and five Ge atoms. There are one shorter (2.46 Å) and four longer (2.52 Å) Pt–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Pt atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ce and five Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(GePt)2 by Materials Project

LaPt2Ge2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to eight Pt and eight Ge atoms. There are a spread of La–Pt bond distances ranging from 3.34–3.42 Å. There are a spread of La–Ge bond distances ranging from 3.32–3.43 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.56–2.58 Å. In the second Pt site, Pt is bonded in a 5-coordinate geometry to four equivalent La and five Ge atoms. There are one shorter (2.50 Å) and four longer (2.55 Å) Pt–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Pt atoms. In the second Ge site, Ge is bonded in a 5-coordinate geometry to four equivalent La and five Pt atoms.

36 MATERIALS SCIENCE↗