Inorganic Solid Phases

Sr0.67Ba0.33Al2Si6O16·2.85H2O (Ba0.5Sr1.5Al4Si12O32[H2O]10, T = 463 K) 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; 1662 (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source, X7B (determination of structural parameters), X-rays, synchrotron; λ = 0.1488 nm (determination of cell and structural parameters), T = 463 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 72 variables; 1662 reflections, RP = 0.0455; wRP = 0.0644; RB = 0.0192
  • Sample Detail(s): energy-dispersive X-ray analysis, thermogravimetry; nominal composition Sr0.67Ba0.33Al2Si6O16[H2O]5, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba0.67Sr1.33Al4Si12O32[H2O]5.7
  • Alphabetic Formula: Al4Ba0.67[H2O]5.7O32Si12Sr1.33
  • Published Formula: Sr0.67Ba0.33Al2Si6O16·2.85H2O
  • Refined Formula: Al4Ba0.65H11.35O37.68Si12Sr1.32
  • Wyckoff Sequence: 11,f12e8b
  • Z Formula Units: 1
  • Density: ρ = 2.33 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_1201334

  • 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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