Inorganic Solid Phases

Na_1.5Zn_1.5Fe³⁺_1.5(PO₄)₃ (Na_1.5Zn_1.5Fe_1.5[PO₄]₃) Crystal Structure

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General Information

Phase Label(s): Na_1.5Zn_1.5Fe_1.5[PO₄]₃
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: mS80
Space Group: 15
Phase Prototype: Na₂Fe₃[PO₄]₃
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW3710 (determination of structural parameters), X-rays, Fe Kα; λ = 0.19373 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): orthophosphate
Interpretation Detail(s): complete structure determined, Rietveld refinement, R_P = 0.0351; wR_P = 0.0476; R_B = 0.0766
Sample Detail(s): sample prepared from NaHCO₃, FeSO₄[H₂O]₇, NH₄H₂PO₄, ZnO, chemical analysis; P_3.000Fe³⁺_1.056Fe²⁺_0.496Zn_1.734Na_1.370O₁₂, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Na_1.5Zn_1.5Fe_1.5[PO₄]₃
Alphabetic Formula: Fe_1.5Na_1.5[PO₄]₃Zn_1.5
Published Formula: Na_1.5Zn_1.5Fe³⁺_1.5(PO₄)₃
Refined Formula: Fe_1.55Na_1.44O₁₂P₃Zn_1.45
Wyckoff Sequence: 15,f⁸e³a
Z Formula Units: 4
Density: ρ = 3.88 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_1219865

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 Na1.5Zn1.5Fe3+1.5(PO4)3 (Na1.5Zn1.5Fe1.5[PO4]3) Crystal Structure sd_1219865 (Springer-Verlag GmbH, Heidelberg, © 2016)

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