Inorganic Solid Phases

|H51Na5K2(Al2O)2.5|[Si124Al68O384]-FAU (H15.25K0.5Na1.25Al17.75Si30.5O96.125) Crystal Structure

General Information

  • Phase Label(s): H15.25K0.5Na1.25Al17.75Si30.5O96.125
  • Structure Class(es): zeolite FAU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF688
  • Space Group: 227
  • Phase Prototype: H15.25K0.5Na1.25Al17.75Si30.5O96.125
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; South Korea, Pohang Accelerator Laboratory PAL, PLS reactor, 4A beamline, MXW (determination of structural parameters), X-rays, synchrotron; λ = 0.076999 nm (determination of cell and structural parameters), T = 294 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 51 variables; 644 reflections; F > 4σ(F), R = 0.046; wR = 0.158
  • Sample Detail(s): sample prepared from (Na71)[Si121Al71O384]-FAU/(K71)[Si121Al71O384]-FAU, NH4CH3CO2, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H12.75K0.5Na1.25Al18.25Si31O96.625
  • Alphabetic Formula: Al18.25H12.75K0.5Na1.25O96.625Si31
  • Published Formula: |H51Na5K2(Al2O)2.5|[Si124Al68O384]-FAU
  • Refined Formula: Al18.19K0.40Na1.36O95.64Si31.01
  • Wyckoff Sequence: 227,ihg4e3c
  • Z Formula Units: 4
  • Density: ρ = 1.28 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_1627469

  • 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