Single-crystal structure refinement of bukovite, (Cu3Fe)Σ4Tl2Se4

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Single-crystal structure refinement of bukovite, (Cu3Fe)Σ4Tl2Se4

Popis výsledku v původním jazyce

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 &gt; 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.

Název v anglickém jazyce

Single-crystal structure refinement of bukovite, (Cu3Fe)Σ4Tl2Se4

Popis výsledku anglicky

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 &gt; 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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10504 - Mineralogy

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2023

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Geosciences

ISSN

1802-6222

e-ISSN

—

Svazek periodika

68

Číslo periodika v rámci svazku

3

Stát vydavatele periodika

CZ - Česká republika

Počet stran výsledku

6

Strana od-do

179-184

Kód UT WoS článku

001125566400005

EID výsledku v databázi Scopus

2-s2.0-85179920357