Inorganic Solid Phases

Ba1.2(Ti,V,Cr)8(O,OH)16 (Ba0.6Ti4O6.8[OH]1.2 tet1) Crystal Structure

General Information

  • Phase Label(s): Ba0.6Ti4O6.8[OH]1.2 tet1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI138
  • Space Group: 79
  • Phase Prototype: Ba0.6Ti4(O0.85[OH]0.15)8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius (determination of structural parameters), X-rays, Mo K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide
  • Interpretation Detail(s): positions of non-H atoms determined; refinement in superspace, least-squares refinement; I > 0σ(I), R = 0.0415
  • Sample Detail(s): hollandite sample from Tajikistan, Tien-Shan Mountains, Tuvish volcanic pipe, electron microprobe analysis; (Ba1.14K0.05)(Ti5.81V1.34Cr0.36Fe0.20Mn0.16Al0.09)[O,OH]16, single crystal (determination of cell parameters), single crystal, 0.1×0.15×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba0.6Ti4O6.8[OH]1.2
  • Alphabetic Formula: Ba0.6O6.8[OH]1.2Ti4
  • Published Formula: Ba1.2(Ti,V,Cr)8(O,OH)16
  • Refined Formula: Ba0.58H1.20O8Ti4
  • Wyckoff Sequence: 79,c15a9
  • Z Formula Units: 10
  • Density: ρ = 4.46 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_1611354

  • 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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