Inorganic Solid Phases

Ba1Cs0.28Fe0.82Al1.46Ti5.72O16 monoclinic (Cs0.14Ba0.5Ti2.86Fe0.41Al0.73O8 mon) Crystal Structure

General Information

  • Phase Label(s): Cs0.14Ba0.5Ti2.86Fe0.41Al0.73O8 mon
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS28
  • Space Group: 12
  • Phase Prototype: Ba0.54Ti4O8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; INEL (determination of structural parameters), X-rays, Cu Kα; λ = 0.1540598 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.0151; wRP = 0.0197; RB = 0.101
  • Sample Detail(s): sample prepared from titanium alcoxyde, aluminium alcoxyde, Fe[NO3]3, CsNO3, Ba[NO3]2, HNO3, amounts of tetragonal hollandite (57 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cs0.14Ba0.5Ti2.86Fe0.41Al0.73O8
  • Alphabetic Formula: Al0.73Ba0.5Cs0.14Fe0.41O8Ti2.86
  • Published Formula: Ba1Cs0.28Fe0.82Al1.46Ti5.72O16 monoclinic
  • Refined Formula: AlBa0.47Cs0.13O8Ti3
  • Wyckoff Sequence: 12,i6h
  • Z Formula Units: 2
  • Density: ρ = 4.38 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_1620496

  • 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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