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• W1977283061 abstract "The single crystals of two kinds of metal nitride halides, β-ZrNCl and β-HfNCl, have been grown for the first time in the presence of NH4Cl under a high pressure of 3 GPa at 900°C and 1200°C, respectively. Their crystal structures have been refined on the basis of X-ray four-circle diffractometer data. β-ZrNCl crystallizes in the rhombohedral space group R-3m; a=3.6046(4) Å, c=27.672(4) Å, and Z=6; R1/wR2=0.0270/0.0751 for 447 observed reflections and 11 variables. For the isostructural compound β-HfNCl, a=3.5767(8) Å, c=27.711(7) Å; R1/wR2=0.0372/0.0979 for 454 observed reflections. The compounds are isotypic with SmSI and composed of structural slabs [Cl–M–N–N–M–Cl] (M=Zr, Hf) with close-packed anion layers. Three of those slabs are stacked rhombohedrally in the unit cell along the -axis and held together by Cl…Cl van der Waals interactions. The metal atoms (M) are placed in the octahedral sites between the Cl and N layers, leading to the overall layer sequence of ClAMcNBNCMbClA∣ClCMbNANBMaClC∣ClBMaNCNAMcClB. This is the first single-crystal study on the layered nitride halides MNX (M=Zr, Hf; M=Cl, Br, I) which recently have gained considerable interest because of the superconductivity caused by alkali metal intercalation." @default.
• W1977283061 created "2016-06-24" @default.
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• W1977283061 date "2001-06-01" @default.
• W1977283061 modified "2023-10-11" @default.
• W1977283061 title "High-Pressure Synthesis and Crystal Structures of β-MNCl (M=Zr and Hf)" @default.
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• W1977283061 doi "https://doi.org/10.1006/jssc.2001.9134" @default.
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