Inorganic Solid Phases

Ba3Fe2−xYxUO9, x= 0.8 (Ba2Y0.66U0.67Fe0.67O6) Crystal Structure

General Information

  • Phase Label(s): Ba2Y0.66U0.67Fe0.67O6
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF40
  • Space Group: 225
  • Phase Prototype: Ba2CaWO6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1130 (determination of structural parameters), X-rays, Co Kα, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, integrated intensity refinement, RB = 0.064
  • Sample Detail(s): sample prepared from BaCO3, U3O8, Fe2O3 (hematite), Y2O3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2Y0.53U0.67Fe0.8O6
  • Alphabetic Formula: Ba2Fe0.8O6U0.67Y0.53
  • Published Formula: Ba3Fe2−xYxUO9, x= 0.8
  • Refined Formula: Ba2Fe0.80O6U0.67Y0.53
  • Wyckoff Sequence: 225,ecba
  • Z Formula Units: 4
  • Density: ρ = 6.86 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_1014295

  • 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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