Inorganic Solid Phases

(NH4)1.67Na0.49K0.26Ca2.65Ba0.03Sr0.72Al9.29Si26.73O72·17H2O (K0.13Na0.25[NH4]0.84Sr0.36Ca1.33Al4.6Si13.4O36[H2O]8.5) Crystal Structure

General Information

  • Phase Label(s): K0.13Na0.25[NH4]0.84Sr0.36Ca1.33Al4.6Si13.4O36[H2O]8.5
  • Structure Class(es): zeolite HEU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP73
  • Space Group: 2
  • Phase Prototype: K0.13Na0.25[NH4]0.84Sr0.36Ca1.33(Al0.26Si0.74)18O36[H2O]8.5
  • Measurement Detail(s): automatic diffractometer; 25 (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; 4713 reflections; F > 3σ(F), R = 0.0790; wR = 0.0529
  • Sample Detail(s): sample prepared from Na1.72K0.40Ca2.65Ba0.03Sr0.87Al9.29Si26.73O72[H2O]26.85, NH4NO3, electron microprobe analysis; [NH4]1.67Na0.49K0.26Ca2.65Ba0.03Sr0.72Al9.29Si26.73O72[H2O]17, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.13Na0.25[NH4]0.84Sr0.36Ca1.33Al4.6Si13.4O36[H2O]8.5
  • Alphabetic Formula: Al4.6Ca1.33[H2O]8.5K0.13[NH4]0.84Na0.25O36Si13.4Sr0.36
  • Published Formula: (NH4)1.67Na0.49K0.26Ca2.65Ba0.03Sr0.72Al9.29Si26.73O72·17H2O
  • Refined Formula: Al3.26Ca1.27H25.88K0.12N1.12Na0.23O46.70Si14.74Sr0.34
  • Wyckoff Sequence: 2,i36h
  • Z Formula Units: 1
  • Density: ρ = 2.12 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_1201363

  • 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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