Inorganic Solid Phases

K_1.54Mg_0.77Ti_7.23O₁₆ (T = 919 K) Crystal Structure

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General Information

Phase Label(s): K_1.54Mg_0.77Ti_7.23O₁₆
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: tI26
Space Group: 87
Phase Prototype: K_0.5Mn₄O₈
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays (determination of cell and structural parameters), T = 919 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined; order - disorder studied; temperature dependence studied, full-matrix least-squares refinement; 563 reflections; F > 3σ(F), R = 0.039; wR = 0.026
Sample Detail(s): hollandite sample from synthetic, electron microprobe analysis; K_1.56Mg_0.769Ti_7.22O₁₆, single crystal (determination of cell parameters), single crystal, 0.0051 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: K_0.77Mg_0.39Ti_3.62O₈
Alphabetic Formula: K_0.77Mg_0.39O₈Ti_3.62
Published Formula: K_1.54Mg_0.77Ti_7.23O₁₆
Refined Formula: K_0.84Mg_0.38O₈Ti_3.62
Wyckoff Sequence: 87,h³a
Z Formula Units: 2
Density: ρ = 3.64 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

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_1812319

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 K1.54Mg0.77Ti7.23O16 (T = 919 K) Crystal Structure sd_1812319 (Springer-Verlag GmbH, Heidelberg, © 2016)

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