Inorganic Solid Phases

Nd(Cu_2.64Mn_0.36)(Mn_2.98Fe_1.02)O_11.9 (Cu_2.64NdMn_3.34Fe_1.02O_11.9, T = 450 K) Crystal Structure

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General Information

Phase Label(s): Cu_2.64NdMn_3.34Fe_1.02O_11.9
Structure Class(es): perovskite
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cI40
Space Group: 204
Phase Prototype: CaCu₃Mn₄O₁₂
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.1594 nm (determination of cell and structural parameters), T = 450 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, R_P = 0.0286; wR_P = 0.0423; R_B = 0.0747
Sample Detail(s): sample prepared from Cu[NO₃]₂[H₂O]₃, MnCO₃, FeC₂O₄[H₂O]₂, Nd₂O₃, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Cu_2.64NdMn_3.34Fe_1.02O_11.9
Alphabetic Formula: Cu_2.64Fe_1.02Mn_3.34NdO_11.9
Published Formula: Nd(Cu_2.64Mn_0.36)(Mn_2.98Fe_1.02)O_11.9
Refined Formula: Cu_2.64Fe_1.03Mn_3.33NdO₁₂
Wyckoff Sequence: 204,gcba
Z Formula Units: 2
Density: ρ = 6.28 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_1127109

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 Nd(Cu2.64Mn0.36)(Mn2.98Fe1.02)O11.9 (Cu2.64NdMn3.34Fe1.02O11.9, T = 450 K) Crystal Structure sd_1127109 (Springer-Verlag GmbH, Heidelberg, © 2016)

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