Inorganic Solid Phases

Nd[Fe(CN)6]·5H2O (NdFe[CN]6[H2O]5 rt) Crystal Structure

General Information

  • Phase Label(s): NdFe[CN]6[H2O]5 rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP38
  • Space Group: 176
  • Phase Prototype: LaFe[CN]6[H2O]5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku AFC7R (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters), T = 296 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): cyanide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, R = 0.082; wR = 0.126
  • Sample Detail(s): sample prepared from K3(Fe[CN]6), NdCl3, H2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: NdFe[CN]6[H2O]5
  • Alphabetic Formula: [CN]6Fe[H2O]5Nd
  • Published Formula: Nd[Fe(CN)6]·5H2O
  • Refined Formula: C6FeH10N6NdO5
  • Wyckoff Sequence: 176,i2hfdb
  • Z Formula Units: 2
  • Density: ρ = 2.23 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1611960

  • 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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