Inorganic Solid Phases

Na8.22K3.46Ca2.24Al15.9Si56.1O144·51H2O (K1.7Na4.05Ca1.1Al7.95Si28.05O72[H2O]25.5) Crystal Structure

General Information

  • Phase Label(s): K1.7Na4.05Ca1.1Al7.95Si28.05O72[H2O]25.5
  • Structure Class(es): zeolite STI
  • Classification by Properties:
  • Mineral Name(s): barrerite
  • Pearson Symbol: oS376
  • Space Group: 63
  • Phase Prototype: K1.7Na4.05Ca1.1(Al0.22Si0.78)36O72[H2O]25.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (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; 2071 reflections; I > 2σ(I), R = 0.0588
  • Sample Detail(s): barrerite sample from U.S.A. Alaska, Kuiu Island, chemical analysis; Na8.22K3.46Ca2.24Al15.9Si56.1O144[H2O]51, single crystal (determination of cell parameters), single crystal, 0.16×0.18×0.36 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.7Na4.05Ca1.1Al7.95Si28.05O72[H2O]25.5
  • Alphabetic Formula: Al7.95Ca1.1[H2O]25.5K1.7Na4.05O72Si28.05
  • Published Formula: Na8.22K3.46Ca2.24Al15.9Si56.1O144·51H2O
  • Refined Formula: Al7.92Ca0.96H44.68K1.60Na3.96O94.34Si28.08
  • Wyckoff Sequence: 63,h15g4f10ec4
  • Z Formula Units: 2
  • Density: ρ = 2.13 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_1201368

  • 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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