Crystal structure of the uranyl-molybdate mineral calcurmolite Ca[(UO2)(3)(MoO4)(2)(OH)(4)](H2O)(similar to 5.0): insights from a precession electron-diffraction tomography study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F20%3A00117162" target="_blank" >RIV/00216224:14310/20:00117162 - isvavai.cz</a>

Výsledek na webu

<a href="http://www.jgeosci.org/content/jgeosci.297_Steciuk.pdf" target="_blank" >http://www.jgeosci.org/content/jgeosci.297_Steciuk.pdf</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3190/jgeosci.297" target="_blank" >10.3190/jgeosci.297</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Crystal structure of the uranyl-molybdate mineral calcurmolite Ca[(UO2)(3)(MoO4)(2)(OH)(4)](H2O)(similar to 5.0): insights from a precession electron-diffraction tomography study

Popis výsledku v původním jazyce

Calcurmolite is a rare supergene U mineral formed during the alteration-hydration weathering of uraninite and hypogene Mo minerals; its structure has remained unsolved owing to a lack of crystal material suitable for conventional structure analysis. Here, single-crystal precession electron-diffraction tomography shows the calcurmolite (Rabejac, France) structure to be modulated; it is triclinic, crystallizing in the super-space group P1(alpha 00)0, with a = 3.938 angstrom, b = 11.26 angstrom, c = 14.195 angstrom, alpha = 84.4 degrees, = 112.5 degrees, gamma = 133.95 degrees and has a modulation vector q = 0.4 a*. Due to the poor quality of diffraction data, only a kinematical refinement was undertaken, although final results were reasonable: R-obs/R-all = 0.3825/0.3834 for 3953/17442 observed/all reflections. The structure of calcurmolite is based upon the infinite uranyl-molybdate sheets with baumoite topology (U : Mo ratio = 1.5) and an intcrlayer of 6-coordinated Ca2+ cations with interstitial H2O (ligands arc apical uranyl O atoms and molecular H2O). Adjacent sheets are linked via Ca-O, as well as H-bonds. The structure formula, based on assumed occupancies in the supercell 5a x b x c, is Ca[(UO2)(3) (MoO4)(2)(OH)(4)](H2O)(similar to 0.5), (for Z = 4).

Název v anglickém jazyce

Crystal structure of the uranyl-molybdate mineral calcurmolite Ca[(UO2)(3)(MoO4)(2)(OH)(4)](H2O)(similar to 5.0): insights from a precession electron-diffraction tomography study

Popis výsledku anglicky

Calcurmolite is a rare supergene U mineral formed during the alteration-hydration weathering of uraninite and hypogene Mo minerals; its structure has remained unsolved owing to a lack of crystal material suitable for conventional structure analysis. Here, single-crystal precession electron-diffraction tomography shows the calcurmolite (Rabejac, France) structure to be modulated; it is triclinic, crystallizing in the super-space group P1(alpha 00)0, with a = 3.938 angstrom, b = 11.26 angstrom, c = 14.195 angstrom, alpha = 84.4 degrees, = 112.5 degrees, gamma = 133.95 degrees and has a modulation vector q = 0.4 a*. Due to the poor quality of diffraction data, only a kinematical refinement was undertaken, although final results were reasonable: R-obs/R-all = 0.3825/0.3834 for 3953/17442 observed/all reflections. The structure of calcurmolite is based upon the infinite uranyl-molybdate sheets with baumoite topology (U : Mo ratio = 1.5) and an intcrlayer of 6-coordinated Ca2+ cations with interstitial H2O (ligands arc apical uranyl O atoms and molecular H2O). Adjacent sheets are linked via Ca-O, as well as H-bonds. The structure formula, based on assumed occupancies in the supercell 5a x b x c, is Ca[(UO2)(3) (MoO4)(2)(OH)(4)](H2O)(similar to 0.5), (for Z = 4).

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10504 - Mineralogy

Projekt

<a href="/cs/project/EF16_026%2F0008459" target="_blank" >EF16_026/0008459: Dlouhodobý výzkum geochemických bariér pro ukládání jaderného odpadu</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2020

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

1802-6222

Svazek periodika

65

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

CZ - Česká republika

Počet stran výsledku

11

Strana od-do

15-25

Kód UT WoS článku

000525954600003

EID výsledku v databázi Scopus

2-s2.0-85085059311