Inorganic Solid Phases

K_0.81Na_0.09Ba_0.03Al_1.48Mg_2.26Fe²⁺_0.17Fe³⁺_0.27Ti_0.12Si_2.69O_10.31F_0.10(OH)_1.59 (K_0.9Na_0.1Mg₂Ti_0.2Fe_0.7Al_1.4Si_2.7O_10.7[OH]_1.2F_0.1) Crystal Structure

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General Information

Phase Label(s): K_0.9Na_0.1Mg₂Ti_0.2Fe_0.7Al_1.4Si_2.7O_10.7[OH]_1.2F_0.1
Structure Class(es): mica family
Classification by Properties: –
Mineral Name(s): annite/phlogopite 1M
Pearson Symbol: mS40
Space Group: 12
Phase Prototype: KMg₃(Al_0.25Si_0.75)₄O₁₀([OH]_0.5F_0.5)₂
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS X8 KAPPA APEX II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): hydroxide, silicate, fluoride
Interpretation Detail(s): complete structure determined, least-squares refinement; 73 variables; 579 reflections; I > 3σ(I), R = 0.0308; wR = 0.0332
Sample Detail(s): phlogopite sample from Italy, Apennines, Basilicata, La Cupa, Monte Vulture, chemical analysis; (K_0.81Na_0.09Ba_0.03_0.08)(Al_0.17Mg_2.26Fe²⁺_0.17Fe³⁺_0.27Ti_0.12_0.01)(Si_2.69Al_1.31)O_10.31F_0.10[OH]_1.59, single crystal (determination of cell parameters), single crystal, 0.02×0.38×0.51 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: K_0.81Na_0.09Mg_2.29Ti_0.12Fe_0.44Al_1.48Si_2.69O_10.31[OH]_1.59F_0.1
Alphabetic Formula: Al_1.48F_0.1Fe_0.44K_0.81Mg_2.29Na_0.09O_10.31[OH]_1.59Si_2.69Ti_0.12
Published Formula: K_0.81Na_0.09Ba_0.03Al_1.48Mg_2.26Fe²⁺_0.17Fe³⁺_0.27Ti_0.12Si_2.69O_10.31F_0.10(OH)_1.59
Refined Formula: Fe_0.53H_1.27KMg_2.47O₁₂Si_3.94
Wyckoff Sequence: 12,j³i²hda
Z Formula Units: 2
Density: ρ = 2.87 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 U [nm²]	Type	Computed B_eq [nm²]
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Anisotropic

Site	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	U₁₂ [nm²]	U₁₃ [nm²]	U₂₃ [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_1224902

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 K0.81Na0.09Ba0.03Al1.48Mg2.26Fe2+0.17Fe3+0.27Ti0.12Si2.69O10.31F0.10(OH)1.59 (K0.9Na0.1Mg2Ti0.2Fe0.7Al1.4Si2.7O10.7[OH]1.2F0.1) Crystal Structure sd_1224902 (Springer-Verlag GmbH, Heidelberg, © 2016)

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