Common Phases for the TCOX Database

The following lists common phase names and the corresponding Thermo‑Calc database phase names for some key oxides.

Name in the Database Common Name and Description

CORUNDUM

Corundum (Al2O3), Eskolaite (Cr2O3), Hematite (Fe2O3), Karelianite (V2O3), Tistarite (Ti2O3), CoTiO3, Ilmenite (FeTiO3), Geikielite (MgTiO3), Pyrophanite (MnTiO3), NiTiO3. The ilmenite ((Co,Fe,Mg,Mn,Ni)TiO3) crystal structure consists of an ordered derivative of the corundum structure. In corundum all cations are identical, but in ilmenite Me+2 and Ti+4 occupy different sublattices. Both the disordered and ordered end-members are described in the CORUNDUM phase in the database. Anti-site occupancy in the ilmenite structure is not modeled.

HALITE

Lime (CaO), CoO, Wustite (FeO), Periclase (MgO), Manganosite (MnO), Bunsenite (NiO), Baria (BaO).

ALABANDITE

Alabandite (MnS), Oldhamite (CaS), MgS, GdS, LaS, ZrS, BaS.

GARNET

Grossular (Ca3Al2(SiO4)3), Uvarovite (Ca3Cr2(SiO4)3), Spessartine (Mn3Al2(SiO4)3), Goldmanite (Ca3V3(SiO4)3). Other minerals part of the Garnet structure, such as Pyrope and Almandine, are not part of the database since they are not stable at ambient pressure. Included in the GARNET model are also the (Gd,Y,Yb)3(Al,Fe)5O12 descriptions.

M2O3A

This is the hexagonal La2O3 and Gd2O3 modifications.

M2O3B

This is monoclinic Gd2O3.

M2O3C

This is Bixbyite (Mn2O3) and cubic Gd2O3 , Y2O3 and Yb2O3.

M2O3H

This is hexagonal La2O3, Gd2O3, Y2O3 and Yb2O3.

M2O3X

This is x-La2O3 and high-temperature cubic Gd2O3.

MELILITE

Gehlenite (Ca2Al2SiO7), Fe-Gehlenite (Ca2Fe2SiO7), Åkermanite (Ca2MgSi2O7), Fe-Åkermanite (Ca2FeSi2O7), CaCoSi2O7, Bennesherite (Ba2FeSi2O7), and Ba2MgSi2O7.

OLIVINE

Calcio-olivine (Ca2SiO4), Co2SiO4, Fayalite (Fe2SiO4), Forsterite (Mg2SiO4), Tephroite (Mn2SiO4), Ni2SiO4, Kirschsteinite (CaFeSiO4), Monitcellite (CaMgSiO4), Glaucochroite (CaMnSiO4), Liebenbergite (Ni2SiO4)

PSEUDO_BROOKITE

Pseudobrookite (Fe2TiO5), Karrooite (MgTi2O5), Ti3O5, Al2TiO5, CoTi2O5, Armalcolite ((Fe,Mg)Ti2O5), MnTi2O5.

LOWCLINO_PYROXENE

Low clino-enstatite (MgSiO3), low clino-diopside (CaMgSi2O6).

CLINO_PYROXENE

Clino-enstatite (MgSiO3), clino-ferrosilite (FeSiO3), diopside (CaMgSi2O6), Niopside (CaNiSi2O6), Pigeonite ((Mg,Fe,Ca)Si2O6), Hedenbergite (CaFeSi2O6).

ORTHO_PYROXENE

Enstatite (MgSiO3), ortho-Diopside (CaMgSi2O6).

PROTO_PYROXENE

Proto-enstatite (MgSiO3), proto-diopside (CaMgSi2O6).

PYRRHOTITE

Pyrrhoitite (FeS), CoS, CrS, NbS, NiS, TiS, VS.

RUTILE

Rutile (TiO2), Pyrolusite (MnO2), high-temperature VO2.

ALPHA_SPINEL

Tetragonal Hausmannite (Mn3O4).

SPINEL

The cubic AB2O4-type spinel. Many end-members, solid solutions and combinations are described in the SPINEL phase: Magnetite (Fe3O4), cubic Hausmannite (Mn3O4), Guite (Co3O4), Spinel (MgAl2O4), Cuprospinel (CrFe2O4), Chromite (FeCr2O4), Hercynite (FeAl2O4), Coulsonite (FeV2O4), Vuorelainenite (MnV2O4), Magnesiocoulsonite (MgV2O4), CoV2O4, NiV2O4, Galaxite (MnAl2O4), Jacobsite (MnFe2O4), Magnesiochromite (MgCr2O4), Magnesioferrite (MgFe2O4), Manganochromite (MnCr2O4), Thermaerogenite (CuAl2O4), Ulvöspinel (TiFe2O4), Trevorite (NiFe2O4), NiAl2O4, CoAl2O4, CoFe2O4, FeCo2O4, CoMn2O4, CuMn2O4, MgMn2O4, NiMn2O4, Co2TiO4, Mg2TiO4, MgTi2O4, MnTi2O4, Mn2TiO4, Ni2TiO4, LiAl5O8, LiFe5O8, LiMn2O4, Li4Mn5O12, and Li4Ti5O12.

ZIRCON

Zircon (ZrSiO4), Xenotime (YPO4), GdPO4, LaPO4, HfSiO4.