Inorganic Solid Phases

Na0.27K0.02Ca0.02Al2.27[Al7.13Si28.87O72]·nH2O (Na0.1Al4.7Si14.45O36[H2O]10) Crystal Structure

General Information

  • Phase Label(s): Na0.1Al4.7Si14.45O36[H2O]10
  • Structure Class(es): zeolite HEU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS196
  • Space Group: 12
  • Phase Prototype: Na0.1Al1.17(Al0.20Si0.80)18O36[H2O]10
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, 1884 reflections; I > 2σ(I), R = 0.0454; wR = 0.1156
  • Sample Detail(s): heulandite sample from India, Maharashtra State, Nashik, sample prepared from Na-heulandite, ErCl3[H2O]6, LaCl3[H2O]7, electron microprobe analysis; H8.53Na0.25K0.02Ca0.02[Al8.84Si27.16O72][H2O]n or Na0.27K0.02Ca0.02Al2.27[Al7.13Si28.87O72], 656 ppm Er, 195 ppm La, single crystal (determination of cell parameters), single crystal, 0.1×0.25×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.1Al4.7Si14.45O36[H2O]10
  • Alphabetic Formula: Al4.7[H2O]10Na0.1O36Si14.45
  • Published Formula: Na0.27K0.02Ca0.02Al2.27[Al7.13Si28.87O72]·nH2O
  • Refined Formula: Al3.90H28.56Na0.78O50.28Si14.76
  • Wyckoff Sequence: 12,j16i14h2g
  • Z Formula Units: 2
  • Density: ρ = 2.03 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1617589

  • 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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