Inorganic Solid Phases

Ba0.79Fe0.79Al10.21O17.29, BaFexAl12−xO19−d, x= 1 (Ba0.79Fe0.79Al10.21O17.21) Crystal Structure

General Information

  • Phase Label(s): Ba0.79Fe0.79Al10.21O17.21
  • Structure Class(es): β-alumina
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP76
  • Space Group: 194
  • Phase Prototype: Ba0.75Al11O17.25
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; PANalytical X'Pert PRO MPD (determination of structural parameters), X-rays, Cu Kα; λ = 0.1541 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.1212; wRP = 0.1562
  • Sample Detail(s): sample prepared from Ba[NO3]2, Fe[NO3]3[H2O]9, Al[NO3]3[H2O]9, [NH4]2CO3, amounts of BaAl2O4 (2 mol.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba0.79Fe0.79Al10.21O17.29
  • Alphabetic Formula: Al10.21Ba0.79Fe0.79O17.29
  • Published Formula: Ba0.79Fe0.79Al10.21O17.29, BaFexAl12−xO19−d, x= 1
  • Refined Formula: Al10.21Ba0.79Fe0.79O17.21
  • Wyckoff Sequence: 194,k4hf3edca
  • Z Formula Units: 2
  • Density: ρ = 3.77 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_1231770

  • 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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