Inorganic Solid Phases

H26.8Na42.4K69.2Al138.4Si533.6O1344·283H2O (H13.4K34.6Na21.2Al69.2Si266.8O672[H2O]141.5) Crystal Structure

General Information

  • Phase Label(s): H13.4K34.6Na21.2Al69.2Si266.8O672[H2O]141.5
  • Structure Class(es): zeolite PAU
  • Classification by Properties:
  • Mineral Name(s): paulingite-K
  • Pearson Symbol: cI2508
  • Space Group: 229
  • Phase Prototype: H13.4K34.6Na21.2(Al0.21Si0.79)336O672[H2O]141.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 ADVANCE (determination of structural parameters), X-rays, Cu Kα (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, RP = 0.0613; wRP = 0.0756; RB = 0.0479
  • Sample Detail(s): paulingite sample from synthetic, sample prepared from KOH, Al[OH]3, silicate sol, Al2[SO4]3[H2O]18, flame absorption spectrophotometry, gravimetry; H14.2K33.7Na22.2Al70.0Si269.9O672[H2O]x, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H13.4K34.6Na21.2Al69.2Si266.8O672[H2O]141.5
  • Alphabetic Formula: Al69.2H13.4[H2O]141.5K34.6Na21.2O672Si266.8
  • Published Formula: H26.8Na42.4K69.2Al138.4Si533.6O1344·283H2O
  • Refined Formula: Al69.22H283.36K36.48Na18.80O813.68Si266.78
  • Wyckoff Sequence: 229,l14k10j9i2h2gf3e3
  • Z Formula Units: 2
  • 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1127350

  • 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