Molecular structure of the arsenate mineral chongite from Jáchymov - a vibrational spectroscopy study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00023272%3A_____%2F20%3A10135103" target="_blank" >RIV/00023272:_____/20:10135103 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68378271:_____/20:00540599

Výsledek na webu

<a href="http://www.jgeosci.org/content/jgeosci.292_Sejkora.pdf" target="_blank" >http://www.jgeosci.org/content/jgeosci.292_Sejkora.pdf</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3190/jgeosci.292" target="_blank" >10.3190/jgeosci.292</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Molecular structure of the arsenate mineral chongite from Jáchymov - a vibrational spectroscopy study

Popis výsledku v původním jazyce

Chongite occurs at its second world occurrence Jáchymov as colourless to white crystalline spherical and hemispherical aggregates up to 0.3 mm across composed of rich crusts on strongly weathered fragments of rocks and gangue. The chemical composition of chongite corresponds to the following empirical formula: Ca1.00(Mg1.24Ca0.69EUR0.06Mn0.01)Σ2.00Ca2.00[(AsO3OH)2.13(AsO4)1.84(PO4)0.03]Σ4.00.4H2O. Chongite is monoclinic, space group C2/c, with the unit-cell parameters: a 18.618(5), b 9.421(2), c 9.988(2) Å, β 96.86(2)o and V 1739.4(7) Å3. Raman bands at 3456, 3400, 3194 cm-1 and infrared bands at 3450, 3348, 3201 and 3071 cm-1 are assigned to the n OH stretching of water molecules. Raman bands at 2887, 2416 cm-1 and infrared bands at 2904, 2783 cm-1 are connected to n OH stretching in hydrogen bonded (AsO3OH)2- units. Raman bands at 1656, 1578 cm-1 and infrared bands at 1652, 1601 cm-1 are assigned to the n2 (d) H2O bending vibrations of water molecules bonded in the structure by H-bonds of various strength. A Raman band at 1284 cm-1 and infrared bands at 1091 and 1061 cm-1 may be connected to the d As-OH bending vibrations. The most prominent Raman bands at 902, 861, 828, 807, 758 cm-1 and infrared bands at 932, 899, 863, 815, 746 cm-1 are attributed to overlapping n1 (AsO4)3- symmetric stretching, n3 (AsO4)3- antisymmetric stretching, n1 (AsO3OH)2- symmetric stretching, and n3 (AsO3OH)2- antisymmetric stretching vibrations. Raman band at 693 cm-1 and infrared bands at 721, 634 cm-1 are assigned to d AsOH bend and molecular water libration modes. Raman bands 506, 469, 451, 436 cm-1 and infrared bands at 503, 466 and 417 cm-1 are connected with the n4 (d) (AsO4)3- and (HOAsO3)2- bending vibrations. Raman bands at 389, 360, 346 and 302 cm-1 are related to the n2 (d) (AsO4)3- and (HOAsO3)2- bending vibrations. Raman bands at 275 and 238 cm-1 are assigned to the n (OHxxxO) stretching vibrations and those at 190, 162, 110, 100 and 75 cm-1 to lattice modes.

Název v anglickém jazyce

Molecular structure of the arsenate mineral chongite from Jáchymov - a vibrational spectroscopy study

Popis výsledku anglicky

Chongite occurs at its second world occurrence Jáchymov as colourless to white crystalline spherical and hemispherical aggregates up to 0.3 mm across composed of rich crusts on strongly weathered fragments of rocks and gangue. The chemical composition of chongite corresponds to the following empirical formula: Ca1.00(Mg1.24Ca0.69EUR0.06Mn0.01)Σ2.00Ca2.00[(AsO3OH)2.13(AsO4)1.84(PO4)0.03]Σ4.00.4H2O. Chongite is monoclinic, space group C2/c, with the unit-cell parameters: a 18.618(5), b 9.421(2), c 9.988(2) Å, β 96.86(2)o and V 1739.4(7) Å3. Raman bands at 3456, 3400, 3194 cm-1 and infrared bands at 3450, 3348, 3201 and 3071 cm-1 are assigned to the n OH stretching of water molecules. Raman bands at 2887, 2416 cm-1 and infrared bands at 2904, 2783 cm-1 are connected to n OH stretching in hydrogen bonded (AsO3OH)2- units. Raman bands at 1656, 1578 cm-1 and infrared bands at 1652, 1601 cm-1 are assigned to the n2 (d) H2O bending vibrations of water molecules bonded in the structure by H-bonds of various strength. A Raman band at 1284 cm-1 and infrared bands at 1091 and 1061 cm-1 may be connected to the d As-OH bending vibrations. The most prominent Raman bands at 902, 861, 828, 807, 758 cm-1 and infrared bands at 932, 899, 863, 815, 746 cm-1 are attributed to overlapping n1 (AsO4)3- symmetric stretching, n3 (AsO4)3- antisymmetric stretching, n1 (AsO3OH)2- symmetric stretching, and n3 (AsO3OH)2- antisymmetric stretching vibrations. Raman band at 693 cm-1 and infrared bands at 721, 634 cm-1 are assigned to d AsOH bend and molecular water libration modes. Raman bands 506, 469, 451, 436 cm-1 and infrared bands at 503, 466 and 417 cm-1 are connected with the n4 (d) (AsO4)3- and (HOAsO3)2- bending vibrations. Raman bands at 389, 360, 346 and 302 cm-1 are related to the n2 (d) (AsO4)3- and (HOAsO3)2- bending vibrations. Raman bands at 275 and 238 cm-1 are assigned to the n (OHxxxO) stretching vibrations and those at 190, 162, 110, 100 and 75 cm-1 to lattice modes.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10504 - Mineralogy

Projekt

<a href="/cs/project/GA17-09161S" target="_blank" >GA17-09161S: Krystalové struktury, chemismus a stabilita arseničnanových a síranových minerálů</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

—

Svazek periodika

65

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

CZ - Česká republika

Počet stran výsledku

10

Strana od-do

111-120

Kód UT WoS článku

000548935800003

EID výsledku v databázi Scopus

—