Inorganic Solid Phases

Na_xCa_1−x[(Zr,Ti)_1+xAl_1−x](PO₄)₃, referred to as U1 (Na_0.1Ca_0.9Zr_0.55Ti_0.55Al_0.9[PO₄]₃) Crystal Structure

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General Information

Phase Label(s): Na_0.1Ca_0.9Zr_0.55Ti_0.55Al_0.9[PO₄]₃
Structure Class(es): Nasicon family
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: hR108
Space Group: 167
Phase Prototype: NaZr₂[PO₄]₃
Measurement Detail(s): automatic diffractometer (determination of cell parameters), X-rays, Cu Kα₁; λ = 0.154056 nm (determination of cell parameters), T = 293 K (determination of cell parameters)
Phase Class(es): –
Compound Class(es): orthophosphate
Interpretation Detail(s): cell parameters determined and structure type assigned; temperature dependence studied
Sample Detail(s): sample prepared from Na₂O-CaO-Al₂O₃-P₂O₅-F⁻, ZrO₂, TiO₂ rutile, chemical analysis; 41.3 mol.% P₂O₅, 14.9 mol.% Al₂O₃ and TiO₂ each, 13.2 mol.% ZrO₂, 9.1 mol.% Na₂O and 6.6 mol.% CaO, powder (determination of cell parameters)

Substance Summary

Standard Formula: Na_0.1Ca_0.9Zr_0.55Ti_0.55Al_0.9[PO₄]₃
Alphabetic Formula: Al_0.9Ca_0.9Na_0.1[PO₄]₃Ti_0.55Zr_0.55
Published Formula: Na_xCa_1−x[(Zr,Ti)_1+xAl_1−x](PO₄)₃, referred to as U1
Refined Formula: –
Wyckoff Sequence: –
Z Formula Units: 6
Density: ρ = 3.18 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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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_1400597

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 NaxCa1−x[(Zr,Ti)1+xAl1−x](PO4)3, referred to as U1 (Na0.1Ca0.9Zr0.55Ti0.55Al0.9[PO4]3) Crystal Structure sd_1400597 (Springer-Verlag GmbH, Heidelberg, © 2016)

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