Inorganic Solid Phases

(Na_0.7K_0.3)Ca_2.0(Mg_3.4Fe_1.0Ti_0.6)(Si_5.95Al_2.05O₂₂)F_1.1O_0.9 (K_0.3Na_0.7Ca_2.0Mg_3.4Ti_0.6Fe_1.0Al_2.05Si_5.95O_22.9F_1.1) Crystal Structure

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General Information

Phase Label(s): K_0.3Na_0.7Ca_2.0Mg_3.4Ti_0.6Fe_1.0Al_2.05Si_5.95O_22.9F_1.1
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): pargasite
Pearson Symbol: aP84
Space Group: 1
Phase Prototype: K_0.3Na_0.7Ca_2.0Mg_3.4Ti_0.6Fe_1.0Al_2.05Si_5.95O_22.9F_1.1
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): silicate, fluoride
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F; 846 variables; 6432 reflections; I > 3σ(I), R = 0.027
Sample Detail(s): amphibole group sample from Germany, Rhineland-Palatinate, Eifel, Rothenberg volcano, energy-dispersive X-ray analysis; K_0.3Na_0.7Ca_2.0Mg_3.4Fe_1.0Ti_0.6Al_2.05Si_5.95O_22.9F_1.1, twinned crystal (determination of cell parameters), twinned crystal, 0.15×0.15×0.65 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: K_0.3Na_0.7Ca_2.0Mg_3.4Ti_0.6Fe_1.0Al_2.05Si_5.95O_22.9F_1.1
Alphabetic Formula: Al_2.05Ca_2.0F_1.1Fe_1.0K_0.3Mg_3.4Na_0.7O_22.9Si_5.95Ti_0.6
Published Formula: (Na_0.7K_0.3)Ca_2.0(Mg_3.4Fe_1.0Ti_0.6)(Si_5.95Al_2.05O₂₂)F_1.1O_0.9
Refined Formula: Al_2.10Ca_1.90F_1.10FeK_0.25Mg_3.40Na_0.85O_22.90Si_5.90Ti_0.60
Wyckoff Sequence: 1,a⁸⁴
Z Formula Units: 2
Density: ρ = 3.23 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_1128069

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 (Na0.7K0.3)Ca2.0(Mg3.4Fe1.0Ti0.6)(Si5.95Al2.05O22)F1.1O0.9 (K0.3Na0.7Ca2.0Mg3.4Ti0.6Fe1.0Al2.05Si5.95O22.9F1.1) Crystal Structure sd_1128069 (Springer-Verlag GmbH, Heidelberg, © 2016)

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