Inorganic Solid Phases

Rb0.58Mn[Fe(CN)6]0.86·2.3H2O (Rb0.58MnFe0.86[CN]5.16[H2O]2.3, T = 30 K) Crystal Structure

General Information

  • Phase Label(s): Rb0.58MnFe0.86[CN]5.16[H2O]2.3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP64
  • Space Group: 123
  • Phase Prototype: Rb0.58MnFe0.86[CN]5.16[H2O]2.3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tokai, Japan Atomic Energy Research Institute, JRR-3M reactor, HERMES (determination of structural parameters), neutrons; λ = 0.18207 nm (determination of cell and structural parameters), T = 30 K (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, wRP = 0.0524; RB = 0.0380
  • Sample Detail(s): sample prepared from MnCl2, RbCl, K3Fe[CN]6, chemical analysis; Rb0.58Mn(Fe[CN]6)0.86[H2O]2.3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Rb0.58MnFe0.86[CN]5.16[H2O]2.3
  • Alphabetic Formula: [CN]5.16Fe0.86[H2O]2.3MnRb0.58
  • Published Formula: Rb0.58Mn[Fe(CN)6]0.86·2.3H2O
  • Refined Formula: C5.16Fe0.86H4.56MnN5.16O2.28Rb0.58
  • Wyckoff Sequence: 123,t2s2k2j2ih2g2dcba
  • Z Formula Units: 2
  • Density: ρ = 1.88 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1627855

  • 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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