Inorganic Solid Phases

NaCaAlF₆·H₂O (NaCaAlF₆[H₂O] mon1) Crystal Structure

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General Information

Phase Label(s): NaCaAlF₆[H₂O] mon1
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): thomsenolite
Pearson Symbol: mP40
Space Group: 14
Phase Prototype: NaCaAlF₆[H₂O]
Measurement Detail(s): diffractometer (determination of cell parameters), Weissenberg photographs (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters)
Phase Class(es): –
Compound Class(es): fluoride, hydrate
Interpretation Detail(s): positions of non-H atoms determined, block-diagonal least-squares refinement, R = 0.090
Sample Detail(s): thomsenolite sample from Greenland, Ivittuut, powder (determination of cell parameters), single crystal, 1.0 mm diameter (determination of structural parameters)

Substance Summary

Standard Formula: NaCaAlF₆[H₂O]
Alphabetic Formula: AlCaF₆[H₂O]Na
Published Formula: NaCaAlF₆·H₂O
Refined Formula: AlCaF₆H₂NaO
Wyckoff Sequence: 14,e¹⁰
Z Formula Units: 4
Density: ρ = 2.99 Mg·m⁻³

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Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
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a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation	Co-ord. No.	Atomic Env.
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Published

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation
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Displacement Parameters

Isotropic

Site	Published B [nm²]	Type	Computed B_eq [nm²]
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Experimental Details

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Reference

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3D Interactive Structure

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About this content

Database name

PAULING FILE Multinaries Edition – 2012

Dataset ID

sd_1401365

Copyright

©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

Chief Editor

Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

villars.mpds@bluewin.ch

Credits

SpringerMaterials Release 2016.

Project Coordinator: Shuichi Iwata

Section-Editor: Karin Cenzual (Crystal Structures)

Cite this content

Pierre Villars (Chief Editor), PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials NaCaAlF6·H2O (NaCaAlF6[H2O] mon1) Crystal Structure sd_1401365 (Springer-Verlag GmbH, Heidelberg, © 2016)

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