Inorganic Solid Phases

(H3O)28La38Al92Si100O384(OH)50·64H2O (La7.5Al22.5Si25.5O96[H2O]8) Crystal Structure

General Information

  • Phase Label(s): La7.5Al22.5Si25.5O96[H2O]8
  • Structure Class(es): zeolite FAU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF640
  • Space Group: 227
  • Phase Prototype: La7.5(Al0.47Si0.53)48O96[H2O]8
  • Measurement Detail(s): automatic diffractometer; 27 (determination of cell parameters), automatic diffractometer; Siemens P3 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 294 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 60 variables; 374 reflections; F > 4σ(F), R = 0.091; wR = 0.250
  • Sample Detail(s): zeolite group sample from synthetic, sample prepared from Na92Si100Al92O384, La(C2H3O2)3, electron microprobe analysis; Na and La content analyzed, single crystal (determination of cell parameters), single crystal, 0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [H3O]7La9.5Al23Si25O96[OH]12.5[H2O]16
  • Alphabetic Formula: Al23[H2O]16[H3O]7La9.5O96[OH]12.5Si25
  • Published Formula: (H3O)28La38Al92Si100O384(OH)50·64H2O
  • Refined Formula: Al22.94H65.50La9.50O131.50Si25.06
  • Wyckoff Sequence: 227,i2hg5e6cb
  • Z Formula Units: 4
  • 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
U [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_1612770

  • 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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