Inorganic Solid Phases

K68Na13Ca36Al152Si520O1344·705H2O (K34Na6Ca18Al76Si260O672[H2O]352.5) Crystal Structure

General Information

  • Phase Label(s): K34Na6Ca18Al76Si260O672[H2O]352.5
  • Structure Class(es): zeolite PAU
  • Classification by Properties:
  • Mineral Name(s): paulingite-Ca/paulingite-K
  • Pearson Symbol: cI2556
  • Space Group: 229
  • Phase Prototype: K34Na6Ca18Al76Si260O672[H2O]352.5
  • Measurement Detail(s): automatic diffractometer; General Electric XRD-5 (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 3900 reflections, R = 0.14
  • Sample Detail(s): paulingite sample from, electron microprobe analysis; 520 Si, 152 Al, 1344 O, 68 K, 36 Ca, 13 Na and 1.5 Ba per unit cell; 705 H2O per unit cell from thermogravimetry, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: K34Na6Ca18Al76Si260O672[H2O]352.5
  • Alphabetic Formula: Al76Ca18[H2O]352.5K34Na6O672Si260
  • Published Formula: K68Na13Ca36Al152Si520O1344·705H2O
  • Refined Formula: Al75.94Ca13.64H452K25.52Na4.84O898Si260.06
  • Wyckoff Sequence: 229,l14k12j8i2h2gf3e3
  • Z Formula Units: 2
  • Density: ρ = 2.20 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_1252648

  • 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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