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fluorcarletonite

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Journal Article

High-temperature behaviour of fluorcarletonite, KNa 4 Ca 4 Si 8 O 18 (CO 3 ) 4 (F,OH)⋅H 2 O, from the Murun Alkaline Complex, Russia, appraised by experimental and theoretical methods

Ernesto Mesto, Maria Lacalamita, Ekaterina Kaneva, Roman Shendrik, Alexander Bogdanov, Marcello Merli, Emanuela Schingaro
Published: 01 August 2024
Mineralogical Magazine (2024) 88 (4): 493–502.
DOI: https://doi.org/10.1180/mgm.2024.50
...Ernesto Mesto; Maria Lacalamita; Ekaterina Kaneva; Roman Shendrik; Alexander Bogdanov; Marcello Merli; Emanuela Schingaro Abstract The thermal behaviour of fluorcarletonite, KNa 4 Ca 4 Si 8 O 18 (CO 3 ) 4 (F,OH)⋅H 2 O, from the charoitites of the Severny district at the Malyy Murun massif, Murun...
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Journal Article

Crystal-chemical characterisation and spectroscopy of fluorcarletonite and carletonite

Ekaterina Kaneva, Alexander Bogdanov, Tatiana Radomskaya, Olga Belozerova, Roman Shendrik
Published: 03 March 2023
Mineralogical Magazine (2023) 87 (3): 356–368.
DOI: https://doi.org/10.1180/mgm.2023.15
...Ekaterina Kaneva; Alexander Bogdanov; Tatiana Radomskaya; Olga Belozerova; Roman Shendrik Abstract The minerals of carletonite group, fluorcarletonite, KNa 4 Ca 4 [Si 8 O 18 ](CO 3 ) 4 (F,OH)·H 2 O and carletonite, Na 4 Ca 4 [Si 8 O 18 ](CO 3 ) 4 (OH,F)·H 2 O, were investigated using a multi-method...
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Calculated density of states for (a) fluorcarletonite and (b) carletonite; ...

Published: 03 March 2023
Figure 12. Calculated density of states for (a) fluorcarletonite and (b) carletonite; and (c) electronic charge density corresponding to states at the top of the VB in fluorcarletonite.
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Photoluminescence spectra of fluorcarletonite (curve 1) and carletonite (cu...

Published: 03 March 2023
Figure 7. Photoluminescence spectra of fluorcarletonite (curve 1) and carletonite (curve 2) under 330 nm excitation and excitation spectra of fluorcarletonite (curve 3) and carletonite (curve 4) monitored at 400 nm.
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Perspective views of the fluorcarletonite and carletonite crystal-structure...

Published: 03 March 2023
Figure 3. Perspective views of the fluorcarletonite and carletonite crystal-structure fragments showing the environment around the (a) C1O 3 group and (b) C2O 3 group. C atoms are brown and CO 3 triangles are outlined in brown. The positions occupied by F in fluorcarletonite and by oxygen
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The crystal structure of the studied fluorcarletonite and carletonite proje...

Published: 03 March 2023
Figure 1. The crystal structure of the studied fluorcarletonite and carletonite projected along the b axis. Si-tetrahedra are black, Ca-, Na- and K-polyhedra are blue, yellow and violet, respectively. Oxygen atoms are drawn in red, Ow atoms (oxygen of H 2 O molecule) are drawn in lavender. C
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Selected bond distances (Å) derived from the structure refinement of the fl...

Published: 01 August 2024
Table 2. Selected bond distances (Å) derived from the structure refinement of the fluorcarletonite crystals studied at 25 and 450°C (Fcarl_1) and at 550°C (Fcarl_2).
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IR absorption spectra of fluorcarletonite annealed at different temperature...

Published: 01 August 2024
Figure 6. IR absorption spectra of fluorcarletonite annealed at different temperatures in the OH stretching vibration region. The temperatures are given in degrees Celsius in the right side of the figure.
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Mean atomic numbers (m.a.n., e – ) for the oxygens at the O11w (black lin...

Published: 01 August 2024
Figure 4. Mean atomic numbers (m.a.n., e – ) for the oxygens at the O11w (black line and symbol) and O12w sites (light grey line and symbol) in fluorcarletonite versus temperature.
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IR absorption spectra of fluorcarletonite annealed at different temperature...

Published: 01 August 2024
Figure 5. IR absorption spectra of fluorcarletonite annealed at different temperatures in the 500–1700 cm –1 range. The temperatures are given in degrees Celsius in the right side of the figure.
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Detail of the crystal structure of fluorcarletonite showing the dimensions ...

Published: 01 August 2024
Figure 2. Detail of the crystal structure of fluorcarletonite showing the dimensions of the tetrahedral rings in the a - c plane at (a) T  = 25°C and (b) T  = 550°C. Colours as in Fig. 1 .
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Selected anion bond distances (Å) and angles (°) derived from the structure...

Published: 01 August 2024
Table 3. Selected anion bond distances (Å) and angles (°) derived from the structure refinement of the fluorcarletonite crystals studied at 25, 100, 200, 300 and 450°C (Fcarl_1), and at 550°C (Fcarl_2).
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Comparison between calculated and experimental values of infrared absorptio...

Published: 01 August 2024
Table 4. Comparison between calculated and experimental values of infrared absorption bands of fluorcarletonite at room temperature and after heating at 700°C. The band assignment is given basing on ab initio calculation.
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Calculated point groups, g-tensor components and C–F distance for different...

Published: 03 March 2023
Table 6. Calculated point groups, g-tensor components and C–F distance for different (CO 3 ) •– radicals in fluorcarletonite.
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Crystallographic coordinates, occupancies and equivalent/isotropic atomic d...

Published: 03 March 2023
Table 3. Crystallographic coordinates, occupancies and equivalent/isotropic atomic displacement parameters (Å 2 ) for fluorcarletonite. *Occupancies: Ow11 = 0.87(1) and Ow12 = 0.55(2).
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Selected bond distances (Å) for tetrahedra, polyhedra and angles (°) for te...

Published: 03 March 2023
Table 5. Selected bond distances (Å) for tetrahedra, polyhedra and angles (°) for tetrahedra of the studied fluorcarletonite (Murun massif) and carletonite (Mont Saint Hilaire massif) samples.
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(a) Calculated optical absorption spectra of (CO 3 ) •– 1 in fluorcarleto...

Published: 03 March 2023
Figure 10. (a) Calculated optical absorption spectra of (CO 3 ) •– 1 in fluorcarletonite at C1 site; and (b) molecular orbitals of (CO 3 ) •– involved in transitions at 475 nm (top) and at 662 nm (bottom).
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Crystallographic data and experimental conditions for fluorcarletonite at 2...

Published: 01 August 2024
Table 1. Crystallographic data and experimental conditions for fluorcarletonite at 25, 100, 200, 300 and 450°C for the Fcarl_1 crystal, and at 25 and 550°C for the Fcarl_2 crystal. Notes: a Goodness of fit = [Σ[ w ( F o 2 – F c 2 ) 2 ]/( N – p )] 1/2 , where N and p are the number
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Crystal structure of fluorcarletonite from Murun Massif as seen along b . ...

Published: 01 August 2024
Figure 1. Crystal structure of fluorcarletonite from Murun Massif as seen along b . Si-tetrahedra (orange), Na-polyhedra (blue), Ca-polyhedron (pink), K + (brown) and C (grey) atoms are represented. Oxygen and fluorine atoms are illustrated in red and green, respectively. Crystal drawings made
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Calculated optical absorption spectra of (CO 3 ) •– in fluorcarletonite: (...

Published: 03 March 2023
Figure 11. Calculated optical absorption spectra of (CO 3 ) •– in fluorcarletonite: (a) (CO 3 ) •– located at C1 ( C 2v point group); and (b) (CO 3 ) •– located at C2 (C s point group).