TY - JOUR
T1 - Electronic structures of sulfide minerals
T2 - Theory and experiment
AU - Vaughan, David J.
AU - Tossell, John A.
PY - 1983/8
Y1 - 1983/8
N2 - The sulfide minerals exhibit a rich diversity in sturctural chemistry and in electrical, magnetic and other physical properties. Models based on molecular orbital theory and incorporating some elements of band theory can be developed to describe the diverse valence electron behavior in these minerals. Qualitative models can be proposed on the basis of observed properties, and the models can be tested and refined using experimental data from X-ray emission and X-ray photoelectron spectroscopy and quantum mechanical calculations performed on cluster units which form the basic building blocks of the crystals. This approach to chemical bonding in sulfide minerals is illustrated for binary non-transition metal sulfides (ZnS, CdS, HgS, PbS), binary transition metal sulfides (FeS2, CoS2, NiS2, CuS2 ZnS2) and more complex sulfides (CuFeS2, Cu2S, Ag2S, CuS, Co3S4, CuCo2S4, Fe3S4). The relationship between qualitative and quantitative theories is reviewed with reference to the pyrite-marcasite-arsenopyrite-loellingite series of minerals. Application of the models to understanding structure-determining principles, relative stabilities, solid solution limits and properties such as color, reflectance and hardness are discussed.
AB - The sulfide minerals exhibit a rich diversity in sturctural chemistry and in electrical, magnetic and other physical properties. Models based on molecular orbital theory and incorporating some elements of band theory can be developed to describe the diverse valence electron behavior in these minerals. Qualitative models can be proposed on the basis of observed properties, and the models can be tested and refined using experimental data from X-ray emission and X-ray photoelectron spectroscopy and quantum mechanical calculations performed on cluster units which form the basic building blocks of the crystals. This approach to chemical bonding in sulfide minerals is illustrated for binary non-transition metal sulfides (ZnS, CdS, HgS, PbS), binary transition metal sulfides (FeS2, CoS2, NiS2, CuS2 ZnS2) and more complex sulfides (CuFeS2, Cu2S, Ag2S, CuS, Co3S4, CuCo2S4, Fe3S4). The relationship between qualitative and quantitative theories is reviewed with reference to the pyrite-marcasite-arsenopyrite-loellingite series of minerals. Application of the models to understanding structure-determining principles, relative stabilities, solid solution limits and properties such as color, reflectance and hardness are discussed.
UR - http://www.scopus.com/inward/record.url?scp=0021068893&partnerID=8YFLogxK
U2 - 10.1007/BF00309575
DO - 10.1007/BF00309575
M3 - Article
AN - SCOPUS:0021068893
SN - 0342-1791
VL - 9
SP - 253
EP - 262
JO - Physics and Chemistry of Minerals
JF - Physics and Chemistry of Minerals
IS - 6
ER -