Inorganic Solid Phases

Ca_0.9Nd_0.1MnO₃ (Ca_0.5Nd_0.5MnO₃ rt) Crystal Structure

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General Information

Phase Label(s): Ca_0.5Nd_0.5MnO₃ rt
Structure Class(es): perovskite
Classification by Properties: antiferromagnet AFM, ferromagnet FM, intermediate valence, metal, nonmetal, sem
Mineral Name(s): –
Pearson Symbol: oP20
Space Group: 62
Phase Prototype: GdFeO₃
Measurement Detail(s): automatic diffractometer; Bede D1 (determination of structural parameters), X-rays, Cu Kα; λ = 0.15406 nm (determination of structural parameters), T = 295 K (determination of structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined, Rietveld refinement, wR_P = 0.108; R_B = 0.0381
Sample Detail(s): sample prepared from CaCO₃, MnO₂, Nd₂O₃, iodometric titration; Mn valence and excess O content analyzed; O content analyzed as 3.00(1), powder (determination of structural parameters)

Substance Summary

Standard Formula: Ca_0.9Nd_0.1MnO₃
Alphabetic Formula: Ca_0.9MnNd_0.1O₃
Published Formula: Ca_0.9Nd_0.1MnO₃
Refined Formula: Ca_0.90MnNd_0.10O₃
Wyckoff Sequence: 62,dc²a
Z Formula Units: 4
Density: ρ = 4.83 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_1717523

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 Ca0.9Nd0.1MnO3 (Ca0.5Nd0.5MnO3 rt) Crystal Structure sd_1717523 (Springer-Verlag GmbH, Heidelberg, © 2016)

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