Inorganic Solid Phases

(Cd/Mn)[Fe(CN)5NO]·3H2O (Cd0.5Mn0.5Fe[CN]5[NO][H2O]3) Crystal Structure

General Information

  • Phase Label(s): Cd0.5Mn0.5Fe[CN]5[NO][H2O]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP72
  • Space Group: 14
  • Phase Prototype: Cd0.5Mn0.5Fe[CN]5[NO][H2O]3
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4F (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 292 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): cyanide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1978 reflections; F > 6σ(F), R = 0.048; wR = 0.069
  • Sample Detail(s): sample prepared from CdCl2, MnCl2, Na2Fe[CN]5[NO][H2O]2, single crystal (determination of cell parameters), single crystal, 0.52×0.57×0.62 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cd0.5Mn0.5Fe[CN]5[NO][H2O]3
  • Alphabetic Formula: [CN]5Cd0.5Fe[H2O]3Mn0.5[NO]
  • Published Formula: (Cd/Mn)[Fe(CN)5NO]·3H2O
  • Refined Formula: C5Cd0.51FeH6Mn0.50N6O4
  • Wyckoff Sequence: 14,e18
  • Z Formula Units: 4
  • Density: ρ = 1.97 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1502916

  • 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)

  • Cite this content

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