TY  - JOUR
AU  - Balić-Žunić, Tonči
AU  - Karanović, Ljiljana
AU  - Poleti, Dejan
PY  - 2008
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5556
AB  - The crystal structure of the mineral picotpaulite, TlFe2S 3, was solved and refined using single-crystal X-ray diffraction data collected at room temperature. The symmetry is orthorhombic, space group Cmcm, with unit-cell parameters: a = 9.083(6), b = 10.754(6), c = 5.412(4) Å, V = 528.6(6) Å3, Z = 4. The structure was refined to the conventional R factor 0.0532 for 226 independent reflections with I > 2σ(I) and 21 variables. Picotpaulite is isostructural with minerals rasvumite (KFe2S3) and pautovite (CsFe2S 3), as well as with a number of synthetic compounds belonging to the CsCu2Cl3 structure type. The structure consists of double chains of FeS4-tetrahedra running along [001] interconnected by TlS10 coordination polyhedra, which form zig-zag chains along the same direction. The Fe-Fe distances between neighbours along the chain direction and perpendicular to it are 2.706(2) and 2.693(6) Å, respectively, indicating strong Fe-Fe interactions. The average oxidation state of Fe is +2.5, achieved by electron transfer over the close Fe sites. Thallium coordination polyhedron can be described as a combination of a square antiprism adjacent to a trigonal prism. The 6s2 electrons of Tl behave as an inert pair and the atom is situated in the centroid of its coordination.
PB  - Slovenian Chemical Society
T2  - Acta Chimica Slovenica
T1  - Crystal structure of picotpaulite, TlFe2S3, from Allchar, FYR Macedonia
EP  - 809
IS  - 4
SP  - 801
VL  - 55
UR  - https://hdl.handle.net/21.15107/rcub_technorep_5556
ER  - 

@article{
author = "Balić-Žunić, Tonči and Karanović, Ljiljana and Poleti, Dejan",
year = "2008",
abstract = "The crystal structure of the mineral picotpaulite, TlFe2S 3, was solved and refined using single-crystal X-ray diffraction data collected at room temperature. The symmetry is orthorhombic, space group Cmcm, with unit-cell parameters: a = 9.083(6), b = 10.754(6), c = 5.412(4) Å, V = 528.6(6) Å3, Z = 4. The structure was refined to the conventional R factor 0.0532 for 226 independent reflections with I > 2σ(I) and 21 variables. Picotpaulite is isostructural with minerals rasvumite (KFe2S3) and pautovite (CsFe2S 3), as well as with a number of synthetic compounds belonging to the CsCu2Cl3 structure type. The structure consists of double chains of FeS4-tetrahedra running along [001] interconnected by TlS10 coordination polyhedra, which form zig-zag chains along the same direction. The Fe-Fe distances between neighbours along the chain direction and perpendicular to it are 2.706(2) and 2.693(6) Å, respectively, indicating strong Fe-Fe interactions. The average oxidation state of Fe is +2.5, achieved by electron transfer over the close Fe sites. Thallium coordination polyhedron can be described as a combination of a square antiprism adjacent to a trigonal prism. The 6s2 electrons of Tl behave as an inert pair and the atom is situated in the centroid of its coordination.",
publisher = "Slovenian Chemical Society",
journal = "Acta Chimica Slovenica",
title = "Crystal structure of picotpaulite, TlFe2S3, from Allchar, FYR Macedonia",
pages = "809-801",
number = "4",
volume = "55",
url = "https://hdl.handle.net/21.15107/rcub_technorep_5556"
}

Balić-Žunić, T., Karanović, L.,& Poleti, D.. (2008). Crystal structure of picotpaulite, TlFe2S3, from Allchar, FYR Macedonia. in Acta Chimica Slovenica
Slovenian Chemical Society., 55(4), 801-809.
https://hdl.handle.net/21.15107/rcub_technorep_5556

Balić-Žunić T, Karanović L, Poleti D. Crystal structure of picotpaulite, TlFe2S3, from Allchar, FYR Macedonia. in Acta Chimica Slovenica. 2008;55(4):801-809.
https://hdl.handle.net/21.15107/rcub_technorep_5556 .

Balić-Žunić, Tonči, Karanović, Ljiljana, Poleti, Dejan, "Crystal structure of picotpaulite, TlFe2S3, from Allchar, FYR Macedonia" in Acta Chimica Slovenica, 55, no. 4 (2008):801-809,
https://hdl.handle.net/21.15107/rcub_technorep_5556 .