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Table A.1:

Molecules present in the amol model.

Nr
Name Chemical formula Reference
1 molecular oxygen O2 a
2 carbon monoxide CO a
3 carbon dioxide CO2 a
4 laughing gas N2O a, b
5 water H2O c
6 crystalline ice H2O d
7 amorphous ice H2O d
8 cupric oxide CuO e
9 nickel monoxide NiO e
10 iron oxide Fe1-xO e
11 magnetite Fe3O4 e
12 hematite Fe2O3 e
13 eskolaite Cr2O3 e
14 andradite Ca3Fe2Si3O12 e
15 acmite NaFeSi2O6 e
16 franklinite Zn0.6Mn0.8Fe1.6O4 e
17 chromite FeCr2O4 e
18 ilmenite FeTiO3 e
19 perovskite CaTiO3 e
20 olivine Mg1.6Fe0.4SiO4 e
21 almandine Fe3Al2(SiO4)3 e
22 hedenbergite CaFeSi2O6 e
23 hercynite FeAl2O4 e

References.  a Barrus et al. (1979), 0.5-0.75 eV resolution. b Wight & Brion (1974), 0.5 eV resolution. c Hiraya et al. (2001), 0.055 eV resolution. d Parent et al. (2002), 0.1 eV resolution. e van Aken et al. (1998), 0.8 eV resolution


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