Inorganic Solid Phases

Ba4Ti6(Nb,Fe)2O16[Si4O12]Cl (Ba4Ti5.92Nb1.44Fe0.64Si4ClO28) Crystal Structure

General Information

  • Phase Label(s): Ba4Ti5.92Nb1.44Fe0.64Si4ClO28
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): baotite
  • Pearson Symbol: tI180
  • Space Group: 88
  • Phase Prototype: Ba4(Ti0.64Nb0.36)4(Ti0.84Fe0.16)4Si4ClO28
  • Measurement Detail(s): precession photographs (determination of cell and structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement
  • Sample Detail(s): baotite sample from unknown, chemical analysis; 14.17 wt.% SiO2, 29.33 wt.% TiO2, 11.50 wt.% Nb2O5, 3.07 wt.% Fe2O3, 1.62 wt.% Al2O3, 0.05 wt.% Cr2O3, 0.41 wt.% CaO, 37.55 wt.% BaO, 0.13 wt.% K2O, 0.20 wt.% Na2O, 0.52 wt.% H2O, 2.01 wt.% Cl, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba4Ti6Nb1.5Fe0.5[SiO4]4ClO12
  • Alphabetic Formula: Ba4ClFe0.5Nb1.5O12[SiO4]4Ti6
  • Published Formula: Ba4Ti6(Nb,Fe)2O16[Si4O12]Cl
  • Refined Formula: Ba4ClO28Si4Ti8
  • Wyckoff Sequence: 88,f11a
  • Z Formula Units: 4
  • Density: ρ = 4.59 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_1626384

  • 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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