Inorganic Solid Phases

Si8.74Al3.26O22(OH)4·5.32(NH4/H2O), NH4/H2O ≈ 0.5 ([NH4]6.52Al6.52Si17.48O44[OH]8[H2O]4.12) Crystal Structure

General Information

  • Phase Label(s): [NH4]6.52Al6.52Si17.48O44[OH]8[H2O]4.12
  • Structure Class(es): zeolite LTA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP88
  • Space Group: 14
  • Phase Prototype: [NH4]6.52(Al0.815Si0.185)8Si16O44[OH]8[H2O]4.12
  • Measurement Detail(s): automatic diffractometer; Bruker AXS D8 ADVANCE (determination of structural parameters), X-rays, Cu Kα1; λ = 0.1540593 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 76 variables, R = 0.010; wRP = 0.035; RB = 0.007
  • Sample Detail(s): sample prepared from Si8.74Al3.26O26H2K5.26, [NH4]2CO3, chemical analysis; Al/Si/K/O ratio 9.5/25.2/0.5/64.8; 0.64 wt.% C, 2.51 wt.% H, 5.01 wt.% N, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]6.52Al6.52Si17.48O44[OH]8[H2O]4.12
  • Alphabetic Formula: Al6.52[H2O]4.12[NH4]6.52O44[OH]8Si17.48
  • Published Formula: Si8.74Al3.26O22(OH)4·5.32(NH4/H2O), NH4/H2O ≈ 0.5
  • Refined Formula: Al6.58H50.58N10.64O52Si17.42
  • Wyckoff Sequence: 14,e22
  • Z Formula Units: 1
  • Density: ρ = 2.05 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_1022735

  • 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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