Inorganic Solid Phases

Ba15[Al30Si66O192]·1.7Ba(OH)2·12.5BaCl2·35H2O (Ba14.6Al15Si33Cl12.5O96[OH]1.7[H2O]17.5) Crystal Structure

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General Information

  • Phase Label(s): Ba14.6Al15Si33Cl12.5O96[OH]1.7[H2O]17.5
  • Structure Class(es): zeolite KFI
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cI400
  • Space Group: 229
  • Phase Prototype: Ba14.6(Al0.31Si0.69)48Cl12.5O96[OH]1.7[H2O]17.5
  • Measurement Detail(s): automatic diffractometer; General Electric XRD-6 (determination of structural parameters), X-rays, Cu Kα (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 = 0.070; RB = 0.061
  • Sample Detail(s): zeolite group sample from synthetic, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba14.6Al15Si33Cl12.5O96[OH]1.7[H2O]17.5
  • Alphabetic Formula: Al15Ba14.6Cl12.5[H2O]17.5O96[OH]1.7Si33
  • Published Formula: Ba15[Al30Si66O192]·1.7Ba(OH)2·12.5BaCl2·35H2O
  • Refined Formula: Al14.98Ba10.82Cl13.44O96Si33.02
  • Wyckoff Sequence: 229,lk2jih2fe3d
  • Z Formula Units: 2
  • Density: ρ = 2.90 Mg·m−3
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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_1252669

  • 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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