Inorganic Solid Phases

(K,Na)_2.41(Ca_4.35Na_2.34Al_0.31)_7.00(Si_15.35Al_0.65)O₃₈(OH,F)₂·H₂O (K_1.20Na_3.55Ca_4.35Al_0.96Si_15.35O₃₈[OH]F[H₂O]) Crystal Structure

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General Information

Phase Label(s): K_1.20Na_3.55Ca_4.35Al_0.96Si_15.35O₃₈[OH]F[H₂O]
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): fedorite
Pearson Symbol: aP71
Space Group: 2
Phase Prototype: K_1.20Na_3.55Ca_4.35Al_0.96Si_15.35O₃₈[OH]F[H₂O]
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D8 (determination of structural parameters), neutrons; λ = 0.12687 nm (determination of structural parameters)
Phase Class(es): –
Compound Class(es): hydroxide, silicate, fluoride, hydrate
Interpretation Detail(s): complete structure determined, least-squares refinement; 776 reflections; F > 3σ(F), R = 0.069; wR = 0.060
Sample Detail(s): fedorite sample from, chemical analysis, single crystal (determination of cell parameters), single crystal, 0.2×1.3×2.0 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: K_1.20Na_3.55Ca_4.35Al_0.96Si_15.35O₃₈[OH]F[H₂O]
Alphabetic Formula: Al_0.96Ca_4.35F[H₂O]K_1.20Na_3.55O₃₈[OH]Si_15.35
Published Formula: (K,Na)_2.41(Ca_4.35Na_2.34Al_0.31)_7.00(Si_15.35Al_0.65)O₃₈(OH,F)₂·H₂O
Refined Formula: Al_0.99Ca_4.34F_0.96H₃K_1.32Na_3.55O_39.96Si_15.36
Wyckoff Sequence: 2,i³⁴hga
Z Formula Units: 1
Density: ρ = 2.46 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_1001788

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 (K,Na)2.41(Ca4.35Na2.34Al0.31)7.00(Si15.35Al0.65)O38(OH,F)2·H2O (K1.20Na3.55Ca4.35Al0.96Si15.35O38[OH]F[H2O]) Crystal Structure sd_1001788 (Springer-Verlag GmbH, Heidelberg, © 2016)

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