Molecular structure of the phosphate mineral koninckite - a vibrational spectroscopic study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27350%2F17%3A10236291" target="_blank" >RIV/61989100:27350/17:10236291 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00023272:_____/17:10133640 RIV/00216224:14310/17:00106257

Výsledek na webu

<a href="http://www.jgeosci.org/content/jgeosci.243_jirasek.pdf" target="_blank" >http://www.jgeosci.org/content/jgeosci.243_jirasek.pdf</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3190/jgeosci.243" target="_blank" >10.3190/jgeosci.243</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Molecular structure of the phosphate mineral koninckite - a vibrational spectroscopic study

Popis výsledku v původním jazyce

We have undertaken a study of the mineral koninckite from Litošice (Czech Republic), a hydrated ferric phosphate, using a combination of scanning electron microscopy with electron probe micro-analyzer (wavelength-dispersive spectroscopy) and vibrational spectroscopy. Chemical analysis shows that studied koninckite is a pure phase with an empirical formula Fe3+0.99(PO4)1.00∙2.75 H2O, with minor enrichment in Al, Ca, Ti, Si, Zn, and K (averages 0.00X apfu). Raman bands and shoulders at 3495, 3312, 3120, and 2966 cm-1 and infrared bands and shoulders at 3729, 3493, 3356, 3250, 3088, 2907, and 2706 cm-1 are assigned to the ν OH stretching of structurally distinct differently hydrogen bonded water molecules, A Raman band at 1602 cm-1 and shoulders at 1679, 1659, 1634, and 1617 cm-1 and infrared bands at 1650 and 1598 cm-1 are assigned to the ν2 (δ) H2O bending vibrations of structurally distinct differently hydrogen bonded water molecules. Raman shoulders at 1576, 1554, 1541, 1532, and 1520 cm-1 and infrared shoulders at 1541 and 1454 cm-1 may be probably connected with zeolitically bonded water molecules located in the channels. Raman bands and shoulders at 1148, 1132, 1108, 1063, 1048, and 1015 cm-1 and an infrared band and shoulders at 1131, 1097, 1049, and 1017 cm-1 are assigned to the ν3 PO43- triply degenerate antisymmetric stretching vibrations. A Raman band and a shoulder at 994 and 970 cm-1, respectively, and an infrared band and a shoulder at 978 and 949 cm-1, respectively, are assigned to the ν1 PO43- symmetric stretching vibrations. Infrared shoulders at 873, 833, and 748 cm-1 are assigned to libration modes of water molecules. Raman bands and shoulders at 670, 648, 631, 614, 600, 572, and 546 cm-1 and infrared bands at 592 and 534 cm-1 are assigned to the ν4 (δ) PO43- triply degenerate out-of-plane bending vibrations; weak band at 570 cm-1 may coincide with the δ Fe-O bending vibration. Raman bands and shoulders at 453, 443, 419, and 400 cm-1 are assigned to the ν2 (δ) PO43- doubly degenerate in-plane bending vibrations. Raman bands at 385, 346, 324, 309, 275, 252, and 227 cm-1 are assigned to the ν Fe-O stretching vibrations in FeO6 octahedra. Raman bands at 188, 158, 140, 112, 89, and 73 cm-1 are assigned to lattice vibrations.

Název v anglickém jazyce

Molecular structure of the phosphate mineral koninckite - a vibrational spectroscopic study

Popis výsledku anglicky

We have undertaken a study of the mineral koninckite from Litošice (Czech Republic), a hydrated ferric phosphate, using a combination of scanning electron microscopy with electron probe micro-analyzer (wavelength-dispersive spectroscopy) and vibrational spectroscopy. Chemical analysis shows that studied koninckite is a pure phase with an empirical formula Fe3+0.99(PO4)1.00∙2.75 H2O, with minor enrichment in Al, Ca, Ti, Si, Zn, and K (averages 0.00X apfu). Raman bands and shoulders at 3495, 3312, 3120, and 2966 cm-1 and infrared bands and shoulders at 3729, 3493, 3356, 3250, 3088, 2907, and 2706 cm-1 are assigned to the ν OH stretching of structurally distinct differently hydrogen bonded water molecules, A Raman band at 1602 cm-1 and shoulders at 1679, 1659, 1634, and 1617 cm-1 and infrared bands at 1650 and 1598 cm-1 are assigned to the ν2 (δ) H2O bending vibrations of structurally distinct differently hydrogen bonded water molecules. Raman shoulders at 1576, 1554, 1541, 1532, and 1520 cm-1 and infrared shoulders at 1541 and 1454 cm-1 may be probably connected with zeolitically bonded water molecules located in the channels. Raman bands and shoulders at 1148, 1132, 1108, 1063, 1048, and 1015 cm-1 and an infrared band and shoulders at 1131, 1097, 1049, and 1017 cm-1 are assigned to the ν3 PO43- triply degenerate antisymmetric stretching vibrations. A Raman band and a shoulder at 994 and 970 cm-1, respectively, and an infrared band and a shoulder at 978 and 949 cm-1, respectively, are assigned to the ν1 PO43- symmetric stretching vibrations. Infrared shoulders at 873, 833, and 748 cm-1 are assigned to libration modes of water molecules. Raman bands and shoulders at 670, 648, 631, 614, 600, 572, and 546 cm-1 and infrared bands at 592 and 534 cm-1 are assigned to the ν4 (δ) PO43- triply degenerate out-of-plane bending vibrations; weak band at 570 cm-1 may coincide with the δ Fe-O bending vibration. Raman bands and shoulders at 453, 443, 419, and 400 cm-1 are assigned to the ν2 (δ) PO43- doubly degenerate in-plane bending vibrations. Raman bands at 385, 346, 324, 309, 275, 252, and 227 cm-1 are assigned to the ν Fe-O stretching vibrations in FeO6 octahedra. Raman bands at 188, 158, 140, 112, 89, and 73 cm-1 are assigned to lattice vibrations.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10504 - Mineralogy

Projekt

<a href="/cs/project/LO1406" target="_blank" >LO1406: Institut čistých technologií těžby a užití energetických surovin - Projekt udržitelnosti</a><br>

Návaznosti

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

Rok uplatnění

2017

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

62

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

CZ - Česká republika

Počet stran výsledku

10

Strana od-do

271-279

Kód UT WoS článku

000423277800006

EID výsledku v databázi Scopus

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