Natural and artificial OH defect incorporation into fluoride
minerals at elevated temperature—a case study of sellaite,
villiaumite and fluorite

J 2023

Natural and artificial OH defect incorporation into fluoride minerals at elevated temperature—a case study of sellaite, villiaumite and fluorite

TALLA, Dominik, Anton BERAN a Radek ŠKODA

Základní údaje

Originální název

Natural and artificial OH defect incorporation into fluoride minerals at elevated temperature—a case study of sellaite, villiaumite and fluorite

Autoři

TALLA, Dominik (garant), Anton BERAN a Radek ŠKODA (203 Česká republika, domácí)

Vydání

Mineralogy and Petrology, Springer, 2023, 0930-0708

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10504 Mineralogy

Stát vydavatele

Rakousko

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 1.800 v roce 2022

Kód RIV

RIV/00216224:14310/23:00131670

Organizační jednotka

Přírodovědecká fakulta

DOI

http://dx.doi.org/10.1007/s00710-023-00824-3

UT WoS

000976565200001

Klíčová slova anglicky

Sellaite; Villiaumite; Fluorite; OH defects; IR spectroscopy; Deuteration

Štítky

rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 12. 9. 2023 11:16, Mgr. Marie Šípková, DiS.

Anotace

V originále

The long-known presence of a sharp OH absorption band in the tetragonal fluoride mineral sellaite, MgF2, inspired us to conduct a detailed study of the OH incorporation modes into this IR-transparent (where IR stands for Infrared) material as well as to search for hydrogen traces in two other IR-translucent halides-villiaumite (NaF) and fluorite (CaF2). Among these three phases, sellaite is the only one to incorporate 'intrinsic' OH groups, most commonly as O-H center dot center dot center dot F defects oriented nearly perpendicular to the c-axis along the shortest edge of the constituent MgF6 polyhedra, in analogy with the isostructural mineral rutile, TiO2. Another defect type, seen only scarcely in untreated natural material, develops when subjecting sellaite to temperatures above 900 degrees C. It involves an O-H center dot center dot center dot O cluster along the 2.802 angstrom edge of the original MgF6 dipyramid, as fluorine atoms are progressively expelled from the structure, being replaced by O2- anions. This is corroborated by the appearance of spectral absorption features typical for brucite (Mg(OH)(2)) and ultimately periclase (MgO), the presence of which could be proven via powder diffraction of the heat-treated material. Except for a 'dubious' peak most probably caused by included phases, neither villiaumite (NaF) nor fluorite (CaF2) showed any presence of 'intrinsic' OH defects. They do however decompose along a similar route into the respective oxide and hydroxide phases at high temperature. This thermal decomposition of the studied halide phases is accompanied by the emission of gaseous (HF)(n) species at temperatures well below their established melting point - a subject which seems to be quite overlooked.

Citovat

TALLA, Dominik, Anton BERAN a Radek ŠKODA. Natural and artificial OH defect incorporation into fluoride minerals at elevated temperature—a case study of sellaite, villiaumite and fluorite. Mineralogy and Petrology. Springer, 2023, roč. 117, č. 2, s. 359-372. ISSN 0930-0708. Dostupné z: https://dx.doi.org/10.1007/s00710-023-00824-3.

@article{2310057,
   author = {Talla, Dominik and Beran, Anton and Škoda, Radek},
   article_number = {2},
   doi = {http://dx.doi.org/10.1007/s00710-023-00824-3},
   keywords = {Sellaite; Villiaumite; Fluorite; OH defects; IR spectroscopy; Deuteration},
   language = {eng},
   issn = {0930-0708},
   journal = {Mineralogy and Petrology},
   title = {Natural and artificial OH defect incorporation into fluoride minerals at elevated temperature—a case study of sellaite, villiaumite and fluorite},
   url = {https://doi.org/10.1007/s00710-023-00824-3},
   volume = {117},
   year = {2023}
}

TY  - JOUR
ID  - 2310057
AU  - Talla, Dominik - Beran, Anton - Škoda, Radek
PY  - 2023
TI  - Natural and artificial OH defect incorporation into fluoride minerals at elevated temperature—a case study of sellaite, villiaumite and fluorite
JF  - Mineralogy and Petrology
VL  - 117
IS  - 2
SP  - 359-372
EP  - 359-372
PB  - Springer
SN  - 09300708
KW  - Sellaite
KW  - Villiaumite
KW  - Fluorite
KW  - OH defects
KW  - IR spectroscopy
KW  - Deuteration
UR  - https://doi.org/10.1007/s00710-023-00824-3
N2  - The long-known presence of a sharp OH absorption band in the tetragonal fluoride mineral sellaite, MgF2, inspired us to conduct a detailed study of the OH incorporation modes into this IR-transparent (where IR stands for Infrared) material as well as to search for hydrogen traces in two other IR-translucent halides-villiaumite (NaF) and fluorite (CaF2). Among these three phases, sellaite is the only one to incorporate 'intrinsic' OH groups, most commonly as O-H center dot center dot center dot F defects oriented nearly perpendicular to the c-axis along the shortest edge of the constituent MgF6 polyhedra, in analogy with the isostructural mineral rutile, TiO2. Another defect type, seen only scarcely in untreated natural material, develops when subjecting sellaite to temperatures above 900 degrees C. It involves an O-H center dot center dot center dot O cluster along the 2.802 angstrom edge of the original MgF6 dipyramid, as fluorine atoms are progressively expelled from the structure, being replaced by O2- anions. This is corroborated by the appearance of spectral absorption features typical for brucite (Mg(OH)(2)) and ultimately periclase (MgO), the presence of which could be proven via powder diffraction of the heat-treated material. Except for a 'dubious' peak most probably caused by included phases, neither villiaumite (NaF) nor fluorite (CaF2) showed any presence of 'intrinsic' OH defects. They do however decompose along a similar route into the respective oxide and hydroxide phases at high temperature. This thermal decomposition of the studied halide phases is accompanied by the emission of gaseous (HF)(n) species at temperatures well below their established melting point - a subject which seems to be quite overlooked.
ER  -

TALLA, Dominik, Anton BERAN a Radek ŠKODA. Natural and artificial OH defect incorporation into fluoride minerals at elevated temperature—a case study of sellaite, villiaumite and fluorite. \textit{Mineralogy and Petrology}. Springer, 2023, roč.~117, č.~2, s.~359-372. ISSN~0930-0708. Dostupné z: https://dx.doi.org/10.1007/s00710-023-00824-3.

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