Inorganic Solid Phases

Rb0.19Ba0.3Mn1.1[Fe(CN)6]·0.48H2O (Rb0.095Ba0.15Mn0.55Fe0.5[CN]3[H2O]0.24, T = 1.5 K) Crystal Structure

General Information

  • Phase Label(s): Rb0.095Ba0.15Mn0.55Fe0.5[CN]3[H2O]0.24
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI24
  • Space Group: 119
  • Phase Prototype: Rb0.42Mn0.54Fe0.5[CN]3[H2O]0.22
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Switzerland, Villigen, Paul Scherrer Institute, Laboratory for Neutron Scattering, SINQ, DMC (determination of structural parameters), neutrons; λ = 0.24585 nm (determination of cell and structural parameters), T = 1.5 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): cyanide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; magnetic structure determined, Rietveld refinement
  • Sample Detail(s): powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Rb0.095Ba0.15Mn0.55Fe0.5[CN]3[H2O]0.24
  • Alphabetic Formula: Ba0.15[CN]3Fe0.5[H2O]0.24Mn0.55Rb0.095
  • Published Formula: Rb0.19Ba0.3Mn1.1[Fe(CN)6]·0.48H2O
  • Refined Formula: Ba0.15C3Fe0.50H0.48Mn0.55N3O0.24Rb0.10
  • Wyckoff Sequence: 119,g2dcba
  • Z Formula Units: 2
  • Density: ρ = 0.97 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_1128762

  • 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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