Single-crystal structure refinement of bukovite, (Cu3Fe)Σ4Tl2Se4
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00023272%3A_____%2F23%3A10136224" target="_blank" >RIV/00023272:_____/23:10136224 - isvavai.cz</a>
Result on the web
<a href="http://www.jgeosci.org/content/jgeosci.373_Sejkora.pdf" target="_blank" >http://www.jgeosci.org/content/jgeosci.373_Sejkora.pdf</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.3190/jgeosci.373" target="_blank" >10.3190/jgeosci.373</a>
Alternative languages
Result language
angličtina
Original language name
Single-crystal structure refinement of bukovite, (Cu3Fe)Σ4Tl2Se4
Original language description
Single-crystal X-ray diffraction study of bukovite, ideally (Cu3Fe1)Σ4Tl2Se4, was performed using a specimen from the Ústaleč uranium deposit, 15 km west of Horažďovice, SW Bohemia, Czech Republic. In the studied specimens, bukovite occurs in calcite gangue with uraninite associated with bytízite, chaméanite, clausthalite, hakite-(Hg) and umangite. Electron microprobe analysis gave (in wt% - average of 20 spot analyses): Cu 19.90, Tl 41.21, Fe 5.55, S 0.31, Se 31.60, total 98.57. On the basis of 10 atoms per formula unit, the empirical formula of bukovite is (Cu3.06Fe0.97)Σ4.03Tl1.97(Se3.91S0.09)Σ4.00 (Z = 1). Unit-cell parameters are a = 3.9694(8), c = 13.694(3) Å, V = 215.77(10) Å3, space group I4/mmm. The crystal structure was refined by single-crystal X-ray diffraction data to R1 = 0.0264 for 92 unique reflections with Fo > 4σ(Fo) and 10 refined parameters. The crystal structure of bukovite can be described as formed by single mackinawite-like {001} layers of edge-sharing (Cu,Fe)-centered tetrahedra, with Tl atoms hosted in eight-fold cubic coordinated sites intercalated between these tetrahedral layers. The role of Fe is discussed and the chemical formula (Cu3Fe)Σ4Tl2Se4 is proposed.
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10504 - Mineralogy
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Geosciences
ISSN
1802-6222
e-ISSN
—
Volume of the periodical
68
Issue of the periodical within the volume
3
Country of publishing house
CZ - CZECH REPUBLIC
Number of pages
6
Pages from-to
179-184
UT code for WoS article
001125566400005
EID of the result in the Scopus database
2-s2.0-85179920357