Inorganic Solid Phases

NdBaMn₂O₆ (BaNdMn₂O₆, T = 400 K) Crystal Structure

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General Information

Phase Label(s): BaNdMn₂O₆
Structure Class(es): high-T_c cuprate family
Classification by Properties: antiferromagnet AFM, ferromagnet FM, intermediate valence, metal, semiconductor
Mineral Name(s): –
Pearson Symbol: tP10
Space Group: 123
Phase Prototype: Ba(Cu_0.5Fe_0.5)₂PrO_5.5
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tokai, Japan Atomic Energy Research Institute, JRR-3M reactor, HERMES (determination of structural parameters), neutrons; λ = 0.18207 nm (determination of cell and structural parameters), T = 400 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined, Rietveld refinement, wR_P = 0.0967; R_B = 0.0992
Sample Detail(s): sample prepared from Nd₂O₃, BaCO₃, MnO₂, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: BaNdMn₂O₆
Alphabetic Formula: BaMn₂NdO₆
Published Formula: NdBaMn₂O₆
Refined Formula: BaMn₂NdO₆
Wyckoff Sequence: 123,igdcba
Z Formula Units: 1
Density: ρ = 6.86 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_1220630

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 NdBaMn2O6 (BaNdMn2O6, T = 400 K) Crystal Structure sd_1220630 (Springer-Verlag GmbH, Heidelberg, © 2016)

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