Inorganic Solid Phases

[(Mn,Ti,Fe)6(OH,O)2(Si4O12)3]Ba12Cl9{(OH,H2O)7} (Ba6Ti0.81Mn2.01Fe0.18Si6Cl4.5O18.5[OH]2.25[H2O]1.75) Crystal Structure

General Information

  • Phase Label(s): Ba6Ti0.81Mn2.01Fe0.18Si6Cl4.5O18.5[OH]2.25[H2O]1.75
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP88
  • Space Group: 191
  • Phase Prototype: Ba6(Ti0.25Mn0.70Fe0.05)3Si6Cl4.5O18(O0.5[OH]0.5)([OH]0.5[H2O]0.5)3.5
  • Measurement Detail(s): automatic diffractometer (determination of structural parameters), X-rays, Ag Kα; λ = 0.056083 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement, R = 0.102
  • Sample Detail(s): sample from U.S.A. California, Fresno County, Big Creek, Esquire mine, electron microprobe analysis; composition confirmed, single crystal, 0.06×0.06×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba6Ti0.81Mn2.01Fe0.18Si6Cl4.5O18.5[OH]2.25[H2O]1.75
  • Alphabetic Formula: Ba6Cl4.5Fe0.18[H2O]1.75Mn2.01O18.5[OH]2.25Si6Ti0.81
  • Published Formula: [(Mn,Ti,Fe)6(OH,O)2(Si4O12)3]Ba12Cl9{(OH,H2O)7}
  • Refined Formula: Ba6Cl4.60Fe0.15H0.50Mn2.10O19Si6Ti0.75
  • Wyckoff Sequence: 191,ro2ml2kjidc
  • Z Formula Units: 2
  • Density: ρ = 3.32 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

Displacement Parameters

Isotropic

Site
Published
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1100153

  • 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)

  • Cite this content

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