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- W3201824638 abstract "Abstract The title compound was prepared from the pure elements by sintering. The crystal structure was investigated by means of powder X-ray diffraction data. Ho 5 Pd 19 P 12 exhibits the hexagonal Ho 5 Ni 19 P 12 -type structure with space group <m:math xmlns:m=http://www.w3.org/1998/Math/MathML overflow=scroll> <m:mrow> <m:mi>P</m:mi> <m:mover accent=true> <m:mn>6</m:mn> <m:mo>‾</m:mo> </m:mover> <m:mn>2</m:mn> <m:mi>m</m:mi> </m:mrow> </m:math> $P‾{6}2m$ , a = 13.1342(2), c = 3.9839(1) Å, R I = 0.060, R p = 0.080. The crystal structure can be described as a combination of two types of the structural units, [HoPd 6 P 3 ] and [Ho 3 Pd 10 P 6 ], respectively, mutually displaced by 1/2 along the crystallographic c axis. Quantum chemical calculations have been performed to analyze the electronic structure and provide deeper insight into the structure-property relationships. The results of the quantum chemical calculations indicate that the material features metallic bonding between Ho and Pd and covalent bonding between Pd and P." @default.
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- W3201824638 date "2021-09-27" @default.
- W3201824638 modified "2023-09-26" @default.
- W3201824638 title "Crystal and electronic structure of the new ternary phosphide Ho<sub>5</sub>Pd<sub>19</sub>P<sub>12</sub>" @default.
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- W3201824638 doi "https://doi.org/10.1515/znb-2021-0103" @default.
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