Inorganic Solid Phases

Mg3[Fe(CN)6]2·13H2O (Mg0.75Fe0.5[CN]3[H2O]3.25) Crystal Structure

General Information

  • Phase Label(s): Mg0.75Fe0.5[CN]3[H2O]3.25
  • Structure Class(es): Nasicon family, Prussian blue
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP88
  • Space Group: 221
  • Phase Prototype: Cu0.75Fe0.5[CN]3[H2O]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 (determination of structural parameters), X-rays, Cu Kα; λ = 0.154183 nm (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; 42 variables, RP = 0.0182; wRP = 0.0237; RB = 0.0163
  • Sample Detail(s): sample prepared from H3(Fe[CN]6), Mg[OH]2, chemical analysis; 19.53 wt.% C, 22.71 wt.% N, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.75Fe0.5[CN]3[H2O]3.25
  • Alphabetic Formula: [CN]3Fe0.5[H2O]3.25Mg0.75
  • Published Formula: Mg3[Fe(CN)6]2·13H2O
  • Refined Formula: C2.93Fe0.52H6.73Mg0.75N2.93O3.37
  • Wyckoff Sequence: 221,h3gf3e3dcba
  • Z Formula Units: 4
  • Density: ρ = 1.11 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_1934525

  • 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

    Citation copied