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- W2899697688 abstract "The high‐pressure behavior of lead cyanamide, PbNCN, was studied using the diamond anvil cell technique and in situ X‐ray powder diffraction at room temperature. By employing a third‐order Birch–Murnaghan equation of state, a zero‐pressure bulk modulus of K 0 = 19(2) GPa was determined, characterizing PbNCN as a very soft material. Additionally, the first linear compression moduli for the inorganic cyanamide were determined to be K a 0 = 145(7) GPa, K b 0 = 37.7(7) GPa, and K c 0 = 15.5(2) GPa. DFT total‐energy calculations targeting on the Pb 2+ coordination indicate a transition from a typical compression behavior of a two‐dimensional layered structure to a more complex one, which was furthermore analyzed by chemical‐bonding analysis. Instead of a changing shape of the soft cyanamide unit, we observe an unexpected flattening of the corrugated double layers." @default.
- W2899697688 created "2018-11-16" @default.
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- W2899697688 date "2018-11-08" @default.
- W2899697688 modified "2023-09-25" @default.
- W2899697688 title "High-Pressure Behavior of Lead Cyanamide PbNCN" @default.
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- W2899697688 doi "https://doi.org/10.1002/zaac.201800381" @default.
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