Inorganic Solid Phases

(Sr0.95Ba0.05)Al2Si6O16·5H2O (Ba0.5Sr1.5Al4Si12O32[H2O]10) Crystal Structure

General Information

  • Phase Label(s): Ba0.5Sr1.5Al4Si12O32[H2O]10
  • Structure Class(es): zeolite BRE
  • Classification by Properties:
  • Mineral Name(s): brewsterite-Sr
  • Pearson Symbol: mP60
  • Space Group: 11
  • Phase Prototype: (Ba0.3Sr0.6Ca0.1)4(Al0.33Si0.67)12Si4O32[H2O]10
  • Measurement Detail(s): automatic diffractometer; 32 (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, HFBR, H6M (determination of structural parameters), neutrons; λ = 0.105097 nm (determination of cell parameters), neutrons; λ = 0.105097(6) nm (determination of structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 232 variables; 1880 reflections; F2 > 2σ(F2), R = 0.098
  • Sample Detail(s): brewsterite sample from Canada, British Columbia, Olalla, Yellow Lake, electron microprobe analysis; Al5.63Ba0.14H19.72O54.93Si16.90Sr2.68, single crystal (determination of cell parameters), single crystal, 4.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba0.1Sr1.9Al4Si12O32[H2O]10
  • Alphabetic Formula: Al4Ba0.1[H2O]10O32Si12Sr1.9
  • Published Formula: (Sr0.95Ba0.05)Al2Si6O16·5H2O
  • Refined Formula: Al3.96Ba0.10H19.98O42Si12.04Sr1.90
  • Wyckoff Sequence: 11,f12e5b
  • Z Formula Units: 1
  • Density: ρ = 2.40 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2060431

  • 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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