Inorganic Solid Phases

(Sr0.67Ba0.24K0.01)Al1.96Si6.06O16·nH2O (K0.1Ba0.9Sr1.0Al3.9Si12.1O32[H2O]10) Crystal Structure

General Information

  • Phase Label(s): K0.1Ba0.9Sr1.0Al3.9Si12.1O32[H2O]10
  • Structure Class(es): zeolite BRE
  • Classification by Properties:
  • Mineral Name(s): brewsterite-Ba/brewsterite-Sr
  • Pearson Symbol: aP60
  • Space Group: 2
  • Phase Prototype: K0.1Ba0.9Sr1.0(Al0.28Si0.72)14Si2O32[H2O]10
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Rigaku AFC7S (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 3613 reflections; I > 3σ(I), R = 0.053; wR = 0.066
  • Sample Detail(s): brewsterite sample from United Kingdom, Scotland, Strontian, electron microprobe analysis; (Sr0.67Ba0.24K0.01)Al1.96Si6.06O16[H2O]n, single crystal (determination of cell parameters), single crystal, 0.12×0.18×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.1Ba0.5Sr1.4Al3.9Si12.1O32[H2O]10
  • Alphabetic Formula: Al3.9Ba0.5[H2O]10K0.1O32Si12.1Sr1.4
  • Published Formula: (Sr0.67Ba0.24K0.01)Al1.96Si6.06O16·nH2O
  • Refined Formula: Al4.30Ba0.48H20K0.02O42Si11.70Sr1.34
  • Wyckoff Sequence: 2,i29ba
  • Z Formula Units: 1
  • Density: ρ = 2.41 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_1238201

  • 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

    Citation copied