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note
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The calculated lattice parameter for Ag in the bulk phase is a=4.13 using DACAPO (CMPD). The lattice parameters for the hexagonal unit cell of Al2O3 are a=4.80 (4.79) and c=13.12 (13.06). The N-O bond length and O-N-O angle of NO2 in the gas phase are 1.22 (1.21) and 134°(134°), respectively. The corresponding angle for NO2- is 115° (115°).
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