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

J 2020

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

STECIUK, Gwladys; Radek ŠKODA; Jan ROHLÍČEK a Jakub PLÁŠIL

Základní údaje

Originální název

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

Autoři

STECIUK, Gwladys; Radek ŠKODA; Jan ROHLÍČEK a Jakub PLÁŠIL

Vydání

Journal of Geosciences, Czech Geological Survey, 2020, 1802-6222

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10504 Mineralogy

Stát vydavatele

Česká republika

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 1.525

Kód RIV

RIV/00216224:14310/20:00117162

Organizační jednotka

Přírodovědecká fakulta

DOI

https://doi.org/10.3190/jgeosci.297

UT WoS

000525954600003

EID Scopus

2-s2.0-85085059311

Klíčová slova anglicky

calcurmolite; uranyl-motybdate; crystal structure; modulation; baumoite topology; precession electron diffraction

Štítky

14315010, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 30. 11. 2020 11:02, Mgr. Marie Novosadová Šípková, DiS.

Anotace

V originále

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).

Návaznosti

EF16_026/0008459, projekt VaV

Název: Dlouhodobý výzkum geochemických bariér pro ukládání jaderného odpadu

Citovat

STECIUK, Gwladys; Radek ŠKODA; Jan ROHLÍČEK a Jakub PLÁŠIL. 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. Journal of Geosciences. Czech Geological Survey, 2020, roč. 65, č. 1, s. 15-25. ISSN 1802-6222. Dostupné z: https://doi.org/10.3190/jgeosci.297.

@article{1701741,
   author = {Steciuk, Gwladys and Škoda, Radek and Rohlíček, Jan and Plášil, Jakub},
   article_number = {1},
   doi = {https://doi.org/10.3190/jgeosci.297},
   keywords = {calcurmolite; uranyl-motybdate; crystal structure; modulation; baumoite topology; precession electron diffraction},
   language = {eng},
   issn = {1802-6222},
   journal = {Journal of Geosciences},
   title = {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},
   url = {http://www.jgeosci.org/content/jgeosci.297_Steciuk.pdf},
   volume = {65},
   year = {2020}
}

TY  - JOUR
ID  - 1701741
AU  - Steciuk, Gwladys - Škoda, Radek - Rohlíček, Jan - Plášil, Jakub
PY  - 2020
TI  - 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
JF  - Journal of Geosciences
VL  - 65
IS  - 1
SP  - 15-25
EP  - 15-25
PB  - Czech Geological Survey
SN  - 18026222
KW  - calcurmolite
KW  - uranyl-motybdate
KW  - crystal structure
KW  - modulation
KW  - baumoite topology
KW  - precession electron diffraction
UR  - http://www.jgeosci.org/content/jgeosci.297_Steciuk.pdf
L2  - http://www.jgeosci.org/content/jgeosci.297_Steciuk.pdf
N2  - 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).
ER  -

STECIUK, Gwladys; Radek ŠKODA; Jan ROHLÍČEK a Jakub PLÁŠIL. 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. \textit{Journal of Geosciences}. Czech Geological Survey, 2020, roč.~65, č.~1, s.~15-25. ISSN~1802-6222. Dostupné z: https://doi.org/10.3190/jgeosci.297.

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