Inorganic Solid Phases

Rb0.61Mn[Fe(CN)6]0.87·1.7H2O (Rb0.61MnFe0.87[CN]5.22[H2O]1.7 rt, T = 91.3 K) Crystal Structure

General Information

  • Phase Label(s): Rb0.61MnFe0.87[CN]5.22[H2O]1.7 rt
  • Structure Class(es): Nasicon family, Prussian blue
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF128
  • Space Group: 225
  • Phase Prototype: Rb0.61MnFe0.87[CN]5.22[H2O]1.7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS RAPID (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 91.3 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; 15 variables; I > 2σ(I), R = 0.0449; wR = 0.1081
  • Sample Detail(s): sample prepared from MnCl2, C2H5OH (ethanol), K3(Fe[CN]6), RbCl, energy-dispersive X-ray analysis; Rb/Mn/Fe ratio 0.58(4)/1.00(3)/0.86(3), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Rb0.61MnFe0.87[CN]5.22[H2O]1.7
  • Alphabetic Formula: [CN]5.22Fe0.87[H2O]1.7MnRb0.61
  • Published Formula: Rb0.61Mn[Fe(CN)6]0.87·1.7H2O
  • Refined Formula: C5.22Fe0.87H3.42MnN5.22O1.71Rb0.61
  • Wyckoff Sequence: 225,f2e2cba
  • Z Formula Units: 4
  • Density: ρ = 1.83 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_1623394

  • 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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