Inorganic Solid Phases

NdCu3−xMn4+xO12 (Cu2.68NdMn4.32O12, T = 523 K) Crystal Structure

General Information

  • Phase Label(s): Cu2.68NdMn4.32O12
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI40
  • Space Group: 204
  • Phase Prototype: NaMn7O12
  • Measurement Detail(s): Guinier film (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Fe Kα (determination of cell parameters), neutrons; λ = 0.1618 nm (determination of structural parameters), T = 523 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; magnetic structure determined; pressure dependence studied; temperature dependence studied, R = 0.027; wR = 0.023
  • Sample Detail(s): sample prepared from NdCl3, Cu[SO4][H2O]5, KMnO4, powder (determination of cell parameters), powder, 0.01 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu2.68NdMn4.32O12
  • Alphabetic Formula: Cu2.68Mn4.32NdO12
  • Published Formula: NdCu3−xMn4+xO12
  • Refined Formula: Cu2.68Mn4.32NdO12
  • Wyckoff Sequence: 204,gcba
  • Z Formula Units: 2
  • Density: ρ = 6.36 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
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.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2041190

  • 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.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

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