Inorganic Solid Phases

Co3[Cr(CN)6]2·17H2O (Cr0.5Co0.75[CN]3[H2O]4.25) Crystal Structure

General Information

  • Phase Label(s): Cr0.5Co0.75[CN]3[H2O]4.25
  • Structure Class(es): Nasicon family, Prussian blue
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP88
  • Space Group: 221
  • Phase Prototype: Fe0.5Ni[CN]3[H2O]5.3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): cyanide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 20 variables; 140 reflections, wRP = 0.0699; RB = 0.0548
  • Sample Detail(s): sample prepared from K3(Cr[CN]6), CoSO4, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cr0.5Co0.75[CN]3[H2O]4.25
  • Alphabetic Formula: [CN]3Co0.75Cr0.5[H2O]4.25
  • Published Formula: Co3[Cr(CN)6]2·17H2O
  • Refined Formula: C2.93Co0.75Cr0.51H4.56N2.93O2.28
  • Wyckoff Sequence: 221,h3gf3e3dcba
  • Z Formula Units: 4
  • Density: ρ = 1.27 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_1931434

  • 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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