Inorganic Solid Phases

Ba1−xRbxFe2As2, small amounts of Sn from flux; Rb0.05Ba0.89Fe2Sn0.06As2 (Rb0.05Ba0.89Fe2Sn0.06As2) Crystal Structure

General Information

  • Phase Label(s): Rb0.05Ba0.89Fe2Sn0.06As2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI14
  • Space Group: 139
  • Phase Prototype: (Rb0.05Ba0.95)0.94Fe2Sn0.06As2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur PX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 295(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2, R = 0.0389
  • Sample Detail(s): sample prepared from Ba, Fe2As, Rb, As, energy-dispersive X-ray analysis; 16.79 at.% Ba, 1.94 at.% Rb, 1.74 at.% Sn, 40.19 at.% Fe, 39.33 at.% As, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Rb0.05Ba0.89Fe2Sn0.06As2
  • Alphabetic Formula: As2Ba0.89Fe2Rb0.05Sn0.06
  • Published Formula: Ba1−xRbxFe2As2, small amounts of Sn from flux; Rb0.05Ba0.89Fe2Sn0.06As2
  • Refined Formula: As2Ba0.89Fe2Rb0.05Sn0.06
  • Wyckoff Sequence: 139,e2da
  • Z Formula Units: 2
  • Density: ρ = 6.45 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_1927087

  • 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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