Inorganic Solid Phases

(Na2(Fe(CN)5NO)·2D2O) (Na2Fe[CN]5[NO][D2O]2, T = 80 K) Crystal Structure

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General Information

  • Phase Label(s): Na2Fe[CN]5[NO][D2O]2
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP68
  • Space Group: 58
  • Phase Prototype: Na2Fe[CN]5[NO][H2O]2
  • Measurement Detail(s): automatic diffractometer; France, Saclay, Laboratoire Léon Brillouin LLB, ORPHEE reactor, 5C2, P110 (determination of structural parameters), neutrons; λ = 0.08307 nm (determination of structural parameters), T = 80 K (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): cyanide, hydrate-D
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 96 variables; 911 reflections; I > σ(I), R = 0.057; wR = 0.076
  • Sample Detail(s): single crystal, 3×3×3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2Fe[CN]5[NO][D2O]2
  • Alphabetic Formula: [CN]5[D2O]2Fe[NO]Na2
  • Published Formula: (Na2(Fe(CN)5NO)·2D2O)
  • Refined Formula: C5D3.58FeN6Na2O3
  • Wyckoff Sequence: 58,h5g5fe
  • Z Formula Units: 4
  • Density: ρ = 1.78 Mg·m−3
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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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1021995

  • 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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