Inorganic Solid Phases

K11.1[Si24.9Al11.1O72]·25H2O (K11.1Al11.1Si24.9O72[H2O]8, T = 493 K) Crystal Structure

General Information

  • Phase Label(s): K11.1Al11.1Si24.9O72[H2O]8
  • Structure Class(es): zeolite CHA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP141
  • Space Group: 164
  • Phase Prototype: K11.1(Al0.31Si0.69)36O72[H2O]8
  • Measurement Detail(s): Guinier-Lenné film (determination of cell parameters), automatic diffractometer; Scintag PAD-I (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Cu Kα (determination of structural parameters), T = 493 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; 81 variables; 682 reflections, wRP = 0.190
  • Sample Detail(s): chemical analysis; K11.1[Si24.9Al11.1O72][H2O]25, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K11.1Al11.1Si24.9O72[H2O]8
  • Alphabetic Formula: Al11.1[H2O]8K11.1O72Si24.9
  • Published Formula: K11.1[Si24.9Al11.1O72]·25H2O
  • Refined Formula: Al11.16H16.20K11.08O80.10Si24.84
  • Wyckoff Sequence: 164,j6i9hgda
  • Z Formula Units: 1
  • Density: ρ = 1.90 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_1613540

  • 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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