Inorganic Solid Phases

NdBaFe₂O_5+x, x= 0.296 (BaNdFe₂O_5.69, T = 40 K) Crystal Structure

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General Information

Phase Label(s): BaNdFe₂O_5.69
Structure Class(es): –
Classification by Properties: intermediate valence
Mineral Name(s): –
Pearson Symbol: oP12
Space Group: 47
Phase Prototype: BaNdFe₂O_5.69
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source NSLS, X7A (determination of structural parameters), X-rays, synchrotron; λ = 0.07 nm (determination of cell and structural parameters), T = 70 K (determination of cell parameters), T = 40 K (determination of structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, R_B = 0.0637
Sample Detail(s): sample prepared from Fe, Nd₂O₃, BaCO₃, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: BaNdFe₂O_5.296
Alphabetic Formula: BaFe₂NdO_5.296
Published Formula: NdBaFe₂O_5+x, x= 0.296
Refined Formula: BaFe₂NdO_5.30
Wyckoff Sequence: 47,srq²hfca
Z Formula Units: 1
Density: ρ = 6.60 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_1410267

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 NdBaFe2O5+x, x= 0.296 (BaNdFe2O5.69, T = 40 K) Crystal Structure sd_1410267 (Springer-Verlag GmbH, Heidelberg, © 2016)

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