Inorganic Solid Phases

Mn₃ZnN C1 phase (ZnMn₃N) Crystal Structure

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General Information

Phase Label(s): ZnMn₃N
Structure Class(es): perovskite
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cP5
Space Group: 221
Phase Prototype: CaTiO₃
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Maryland, Gaithersburg, NIST Center for Neutron Research, NBSR, BT-1 (determination of structural parameters), neutrons; λ = 0.15403 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): nitride
Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, R_P = 0.0583; wR_P = 0.0618
Sample Detail(s): sample prepared from Mn₂N, Zn, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: ZnMn₃N
Alphabetic Formula: Mn₃NZn
Published Formula: Mn₃ZnN C1 phase
Refined Formula: Mn₃N_0.98Zn_0.99
Wyckoff Sequence: 221,dba
Z Formula Units: 1
Density: ρ = 6.83 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 U [nm²]	Type	Computed B_eq [nm²]
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Anisotropic

Site	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	U₁₂ [nm²]	U₁₃ [nm²]	U₂₃ [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_1828451

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 Mn3ZnN C1 phase (ZnMn3N) Crystal Structure sd_1828451 (Springer-Verlag GmbH, Heidelberg, © 2016)

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