Revision of the crystal structure and chemical formula of
haiweeite, Ca(UO2)(2)(Si5O12)(OH)(2) . 6H(2)O

J 2013

Revision of the crystal structure and chemical formula of haiweeite, Ca(UO2)(2)(Si5O12)(OH)(2) . 6H(2)O

PLÁŠIL, Jakub; Karla FEJFAROVÁ; Jiří ČEJKA; Michal DUŠEK; Radek ŠKODA et al.

Základní údaje

Originální název

Revision of the crystal structure and chemical formula of haiweeite, Ca(UO2)(2)(Si5O12)(OH)(2) . 6H(2)O

Autoři

PLÁŠIL, Jakub; Karla FEJFAROVÁ; Jiří ČEJKA; Michal DUŠEK; Radek ŠKODA a Jiří SEJKORA

Vydání

American Mineralogist, Mineralogical Society of America, 2013, 0003-004X

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10500 1.5. Earth and related environmental sciences

Stát vydavatele

Spojené státy

Utajení

není předmětem státního či obchodního tajemství

Impakt faktor

Impact factor: 2.059

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14310/13:00072870

Organizační jednotka

Přírodovědecká fakulta

DOI

https://doi.org/10.2138/am.2013.4284

UT WoS

000317373200022

Klíčová slova anglicky

Haiweeite; uranyl silicate; sheets of polyhedra; crystal structure; X-ray diffraction

Štítky

AKR, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 9. 4. 2014 12:41, Ing. Andrea Mikešková

Anotace

V originále

The previously published crystal structure study suggested that haiweeite is orthorhombic, Cmcm, with a = 7.125(1), b = 17.937(2), c = 18.342(2) angstrom, and V = 2344.3(7) angstrom(3), and an ideal chemical formula Ca[(UO2)(2)Si5O12(OH)(2)]center dot 3H(2)O, with Z = 4. Using single-crystal X-ray diffraction and electron microprobe analysis we re-examined haiweeite from the Teofilo Otoni, Minas Gerais, Brazil. Our diffraction experiment provided weak reflections responsible for doubling of the b cell parameter (for the current space-group settings), leading finally to the choice of a different space group. Haiweeite is thus orthorhombic, the space group Pbcn, with the unit-cell parameters a = 18.3000(5), b = 14.2331(3), c = 17.9192(5) angstrom, V = 4667.3(2) angstrom(3), and an ideal formula Ca[(UO2)(2)(SiO3OH)(2)(Si3O6)].6H(2)O (6.25 H2O inferred from the thermal analysis; 7.50 H2O from the structure model), with Z= 8. The structure refinement yielded R-1 = 0.0512 for 2498 observed reflections [I-obs > 3 sigma(I)] and wR(2) = 0.1286 for all 6117 unique reflections. Structure solution confirmed by subsequent refinement provided a structure model with full occupancies for U, Si, and Ca atoms, contrasting to previous average structure model. Although the general topology of our structure resembles that reported previously, all Si and O sites in our structure are fully occupied, in contrast to the previous structure determination.

Návaznosti

EE2.3.20.0052, projekt VaV

Název: Výzkumný tým pro ukládání radioaktivních odpadů a jadernou bezpečnost

Citovat

PLÁŠIL, Jakub; Karla FEJFAROVÁ; Jiří ČEJKA; Michal DUŠEK; Radek ŠKODA a Jiří SEJKORA. Revision of the crystal structure and chemical formula of haiweeite, Ca(UO2)(2)(Si5O12)(OH)(2) . 6H(2)O. American Mineralogist. Mineralogical Society of America, 2013, roč. 98, č. 4, s. 718-723. ISSN 0003-004X. Dostupné z: https://doi.org/10.2138/am.2013.4284.

@article{1174104,
   author = {Plášil, Jakub and Fejfarová, Karla and Čejka, Jiří and Dušek, Michal and Škoda, Radek and Sejkora, Jiří},
   article_number = {4},
   doi = {https://doi.org/10.2138/am.2013.4284},
   keywords = {Haiweeite; uranyl silicate; sheets of polyhedra; crystal structure; X-ray diffraction},
   language = {eng},
   issn = {0003-004X},
   journal = {American Mineralogist},
   title = {Revision of the crystal structure and chemical formula of haiweeite, Ca(UO2)(2)(Si5O12)(OH)(2) . 6H(2)O},
   volume = {98},
   year = {2013}
}

TY  - JOUR
ID  - 1174104
AU  - Plášil, Jakub - Fejfarová, Karla - Čejka, Jiří - Dušek, Michal - Škoda, Radek - Sejkora, Jiří
PY  - 2013
TI  - Revision of the crystal structure and chemical formula of haiweeite, Ca(UO2)(2)(Si5O12)(OH)(2) . 6H(2)O
JF  - American Mineralogist
VL  - 98
IS  - 4
SP  - 718-723
EP  - 718-723
PB  - Mineralogical Society of America
SN  - 0003004X
KW  - Haiweeite
KW  - uranyl silicate
KW  - sheets of polyhedra
KW  - crystal structure
KW  - X-ray diffraction
N2  - The previously published crystal structure study suggested that haiweeite is orthorhombic, Cmcm, with a = 7.125(1), b = 17.937(2), c = 18.342(2) angstrom, and V = 2344.3(7) angstrom(3), and an ideal chemical formula Ca[(UO2)(2)Si5O12(OH)(2)]center dot 3H(2)O, with Z = 4. Using single-crystal X-ray diffraction and electron microprobe analysis we re-examined haiweeite from the Teofilo Otoni, Minas Gerais, Brazil. Our diffraction experiment provided weak reflections responsible for doubling of the b cell parameter (for the current space-group settings), leading finally to the choice of a different space group. Haiweeite is thus orthorhombic, the space group Pbcn, with the unit-cell parameters a = 18.3000(5), b = 14.2331(3), c = 17.9192(5) angstrom, V = 4667.3(2) angstrom(3), and an ideal formula Ca[(UO2)(2)(SiO3OH)(2)(Si3O6)].6H(2)O (6.25 H2O inferred from the thermal analysis; 7.50 H2O from the structure model), with Z= 8. The structure refinement yielded R-1 = 0.0512 for 2498 observed reflections [I-obs > 3 sigma(I)] and wR(2) = 0.1286 for all 6117 unique reflections. Structure solution confirmed by subsequent refinement provided a structure model with full occupancies for U, Si, and Ca atoms, contrasting to previous average structure model. Although the general topology of our structure resembles that reported previously, all Si and O sites in our structure are fully occupied, in contrast to the previous structure determination.
ER  -

PLÁŠIL, Jakub; Karla FEJFAROVÁ; Jiří ČEJKA; Michal DUŠEK; Radek ŠKODA a Jiří SEJKORA. Revision of the crystal structure and chemical formula of haiweeite, Ca(UO2)(2)(Si5O12)(OH)(2) . 6H(2)O. \textit{American Mineralogist}. Mineralogical Society of America, 2013, roč.~98, č.~4, s.~718-723. ISSN~0003-004X. Dostupné z: https://doi.org/10.2138/am.2013.4284.

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