Direct Catalytic Conversion of Ethanol to C[subscript 5+] Ketones: Role of Pd-Zn Alloy on Catalytic Activity and Stability
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Subramaniam, Senthil↗
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Materials Data on Zn3Pd by Materials Project
PdZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pd is bonded to twelve Zn atoms to form PdZn12 cuboctahedra that share corners with four equivalent PdZn12 cuboctahedra, edges with eight equivalent PdZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Pd4 cuboctahedra, faces with four equivalent PdZn12 cuboctahedra, and faces with eight equivalent ZnZn8Pd4 cuboctahedra. There are four shorter (2.66 Å) and eight longer (2.79 Å) Pd–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Pd and eight Zn atoms to form distorted ZnZn8Pd4 cuboctahedra that share corners with twelve equivalent ZnZn8Pd4 cuboctahedra, edges with eight equivalent PdZn12 cuboctahedra, edges with eight equivalent ZnZn8Pd4 cuboctahedra, faces with four equivalent PdZn12 cuboctahedra, and faces with ten equivalent ZnZn8Pd4 cuboctahedra. There are four shorter (2.66 Å) and four longer (2.79 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to four equivalent Pd and eight equivalent Zn atoms.
36 MATERIALS SCIENCE↗
Materials Data on ZnPd3 by Materials Project
Pd3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd and four equivalent Zn atoms to form distorted PdZn4Pd8 cuboctahedra that share corners with twelve equivalent PdZn4Pd8 cuboctahedra, edges with eight equivalent ZnPd12 cuboctahedra, edges with sixteen PdZn4Pd8 cuboctahedra, faces with four equivalent ZnPd12 cuboctahedra, and faces with fourteen PdZn4Pd8 cuboctahedra. There are four shorter (2.77 Å) and four longer (2.80 Å) Pd–Pd bond lengths. All Pd–Zn bond lengths are 2.77 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Zn atoms to form distorted PdZn4Pd8 cuboctahedra that share corners with four equivalent PdZn4Pd8 cuboctahedra, corners with eight equivalent ZnPd12 cuboctahedra, edges with twenty-four PdZn4Pd8 cuboctahedra, faces with six equivalent ZnPd12 cuboctahedra, and faces with twelve PdZn4Pd8 cuboctahedra. All Pd–Zn bond lengths are 2.80 Å. Zn is bonded to twelve Pd atoms to form ZnPd12 cuboctahedra that share corners with four equivalent ZnPd12 cuboctahedra, corners with eight equivalent PdZn4Pd8 cuboctahedra, edges with eight equivalent ZnPd12 cuboctahedra, edges with sixteen equivalent PdZn4Pd8 cuboctahedra, faces with four equivalent ZnPd12 cuboctahedra, and faces with fourteen PdZn4Pd8 cuboctahedra.
36 MATERIALS SCIENCE↗
Materials Data on ZnPd3 by Materials Project
Pd3Zn is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Zn atoms to form distorted PdZn4Pd8 cuboctahedra that share corners with four equivalent ZnPd12 cuboctahedra, corners with fourteen equivalent PdZn4Pd8 cuboctahedra, edges with six equivalent ZnPd12 cuboctahedra, edges with twelve equivalent PdZn4Pd8 cuboctahedra, faces with four equivalent ZnPd12 cuboctahedra, and faces with sixteen equivalent PdZn4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.76–2.82 Å. There are two shorter (2.76 Å) and two longer (2.79 Å) Pd–Zn bond lengths. Zn is bonded to twelve equivalent Pd atoms to form ZnPd12 cuboctahedra that share corners with six equivalent ZnPd12 cuboctahedra, corners with twelve equivalent PdZn4Pd8 cuboctahedra, edges with eighteen equivalent PdZn4Pd8 cuboctahedra, faces with eight equivalent ZnPd12 cuboctahedra, and faces with twelve equivalent PdZn4Pd8 cuboctahedra.
36 MATERIALS SCIENCE↗
Materials Data on Zn10Pd3 by Materials Project
Pd3Zn10 is gamma-brass-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 11-coordinate geometry to eleven Zn atoms. There are a spread of Pd–Zn bond distances ranging from 2.60–2.94 Å. In the second Pd site, Pd is bonded in a distorted q6 geometry to twelve Zn atoms. There are a spread of Pd–Zn bond distances ranging from 2.64–2.83 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to ten Zn atoms. There are a spread of Pd–Zn bond distances ranging from 2.59–2.78 Å. In the fourth Pd site, Pd is bonded in a 11-coordinate geometry to eleven Zn atoms. There are a spread of Pd–Zn bond distances ranging from 2.60–2.81 Å. There are thirteen inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to five Pd and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.87 Å. In the second Zn site, Zn is bonded in a 3-coordinate geometry to three Pd and two Zn atoms. The Zn–Zn bond length is 2.64 Å. In the third Zn site, Zn is bonded in a 4-coordinate geometry to four Pd and four Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.68–2.74 Å. In the fourth Zn site, Zn is bonded in a 2-coordinate geometry to four Pd and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–3.10 Å. In the fifth Zn site, Zn is bonded in a 11-coordinate geometry to four Pd and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.93 Å. In the sixth Zn site, Zn is bonded in a 2-coordinate geometry to two Pd and four Zn atoms. There are one shorter (2.69 Å) and one longer (2.80 Å) Zn–Zn bond lengths. In the seventh Zn site, Zn is bonded in a 11-coordinate geometry to three Pd and four Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.81–2.93 Å. In the eighth Zn site, Zn is bonded in a 2-coordinate geometry to three Pd and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.97 Å. In the ninth Zn site, Zn is bonded in a 11-coordinate geometry to four Pd and three Zn atoms. The Zn–Zn bond length is 2.97 Å. In the tenth Zn site, Zn is bonded in a 3-coordinate geometry to three Pd and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.93 Å. In the eleventh Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Pd and eleven Zn atoms. The Zn–Zn bond length is 2.57 Å. In the twelfth Zn site, Zn is bonded in a 3-coordinate geometry to three Pd and four Zn atoms. In the thirteenth Zn site, Zn is bonded in a 2-coordinate geometry to two Pd and eleven Zn atoms.
36 MATERIALS SCIENCE↗
Materials Data on ZnPd3 by Materials Project
Pd3Zn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Zn atoms to form distorted PdZn4Pd8 cuboctahedra that share corners with twelve equivalent PdZn4Pd8 cuboctahedra, edges with eight equivalent ZnPd12 cuboctahedra, edges with sixteen equivalent PdZn4Pd8 cuboctahedra, faces with four equivalent ZnPd12 cuboctahedra, and faces with fourteen equivalent PdZn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.78 Å. All Pd–Zn bond lengths are 2.78 Å. Zn is bonded to twelve equivalent Pd atoms to form ZnPd12 cuboctahedra that share corners with twelve equivalent ZnPd12 cuboctahedra, edges with twenty-four equivalent PdZn4Pd8 cuboctahedra, faces with six equivalent ZnPd12 cuboctahedra, and faces with twelve equivalent PdZn4Pd8 cuboctahedra.
36 MATERIALS SCIENCE↗