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Pirquitasite, Ag(2)ZnSnS(4).

Schumer BN, Downs RT, Domanik KJ, Andrade MB, Origlieri MJ - Acta Crystallogr Sect E Struct Rep Online (2013)

Bottom Line: Pirquitasite, ideally Ag(2)ZnSnS(4) (disilver zinc tin tetra-sulfide), exhibits tetra-gonal symmetry and is a member of the stannite group that has the general formula A(2)BCX(4), with A = Ag, Cu; B = Zn, Cd, Fe, Cu, Hg; C = Sn, Ge, Sb, As; and X = S, Se.One Ag atom is located on Wyckoff site Wyckoff 2a (symmetry -4..), the other Ag atom is statistically disordered with minor amounts of Cu and is located on 2c (-4..), the (Zn, Fe, Cd) site on 2d (-4..), Sn on 2b (-4..), and S on general site 8g.The structure was refined under consideration of twinning by inversion [twin ratio of the components 0.91 (6):0.09 (6)].

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Geosciences, University of Arizona, Tucson, Arizona 85721-0077, USA.

ABSTRACT
Pirquitasite, ideally Ag(2)ZnSnS(4) (disilver zinc tin tetra-sulfide), exhibits tetra-gonal symmetry and is a member of the stannite group that has the general formula A(2)BCX(4), with A = Ag, Cu; B = Zn, Cd, Fe, Cu, Hg; C = Sn, Ge, Sb, As; and X = S, Se. In this study, single-crystal X-ray diffraction data are used to determine the structure of pirquitasite from a twinned crystal from the type locality, the Pirquitas deposit, Jujuy Province, Argentina, with anisotropic displacement parameters for all atoms, and a measured composition of (Ag(1.87)Cu(0.13))(Zn(0.61)Fe(0.36)Cd(0.03))SnS(4). One Ag atom is located on Wyckoff site Wyckoff 2a (symmetry -4..), the other Ag atom is statistically disordered with minor amounts of Cu and is located on 2c (-4..), the (Zn, Fe, Cd) site on 2d (-4..), Sn on 2b (-4..), and S on general site 8g. This is the first determination of the crystal structure of pirquitasite, and our data indicate that the space group of pirquitasite is I-4, rather than I-42m as previously suggested. The structure was refined under consideration of twinning by inversion [twin ratio of the components 0.91 (6):0.09 (6)].

No MeSH data available.


Related in: MedlinePlus

Diagrams of displacement ellipsoids drawn at the 99.999% level for (a) pirquitasite and (b) stannite viewed along (100), with [001] vertical. The two types of metal layers are stacked along [001].
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Fap1: Diagrams of displacement ellipsoids drawn at the 99.999% level for (a) pirquitasite and (b) stannite viewed along (100), with [001] vertical. The two types of metal layers are stacked along [001].


Pirquitasite, Ag(2)ZnSnS(4).

Schumer BN, Downs RT, Domanik KJ, Andrade MB, Origlieri MJ - Acta Crystallogr Sect E Struct Rep Online (2013)

Diagrams of displacement ellipsoids drawn at the 99.999% level for (a) pirquitasite and (b) stannite viewed along (100), with [001] vertical. The two types of metal layers are stacked along [001].
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3569172&req=5

Fap1: Diagrams of displacement ellipsoids drawn at the 99.999% level for (a) pirquitasite and (b) stannite viewed along (100), with [001] vertical. The two types of metal layers are stacked along [001].
Bottom Line: Pirquitasite, ideally Ag(2)ZnSnS(4) (disilver zinc tin tetra-sulfide), exhibits tetra-gonal symmetry and is a member of the stannite group that has the general formula A(2)BCX(4), with A = Ag, Cu; B = Zn, Cd, Fe, Cu, Hg; C = Sn, Ge, Sb, As; and X = S, Se.One Ag atom is located on Wyckoff site Wyckoff 2a (symmetry -4..), the other Ag atom is statistically disordered with minor amounts of Cu and is located on 2c (-4..), the (Zn, Fe, Cd) site on 2d (-4..), Sn on 2b (-4..), and S on general site 8g.The structure was refined under consideration of twinning by inversion [twin ratio of the components 0.91 (6):0.09 (6)].

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Geosciences, University of Arizona, Tucson, Arizona 85721-0077, USA.

ABSTRACT
Pirquitasite, ideally Ag(2)ZnSnS(4) (disilver zinc tin tetra-sulfide), exhibits tetra-gonal symmetry and is a member of the stannite group that has the general formula A(2)BCX(4), with A = Ag, Cu; B = Zn, Cd, Fe, Cu, Hg; C = Sn, Ge, Sb, As; and X = S, Se. In this study, single-crystal X-ray diffraction data are used to determine the structure of pirquitasite from a twinned crystal from the type locality, the Pirquitas deposit, Jujuy Province, Argentina, with anisotropic displacement parameters for all atoms, and a measured composition of (Ag(1.87)Cu(0.13))(Zn(0.61)Fe(0.36)Cd(0.03))SnS(4). One Ag atom is located on Wyckoff site Wyckoff 2a (symmetry -4..), the other Ag atom is statistically disordered with minor amounts of Cu and is located on 2c (-4..), the (Zn, Fe, Cd) site on 2d (-4..), Sn on 2b (-4..), and S on general site 8g. This is the first determination of the crystal structure of pirquitasite, and our data indicate that the space group of pirquitasite is I-4, rather than I-42m as previously suggested. The structure was refined under consideration of twinning by inversion [twin ratio of the components 0.91 (6):0.09 (6)].

No MeSH data available.


Related in: MedlinePlus