Inorganic Solid Phases

Cu2+-exchanged phillipsite (Na1.97Cu1.97Al5.92Si10.08O32[H2O]7.84) Crystal Structure

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General Information

  • Phase Label(s): Na1.97Cu1.97Al5.92Si10.08O32[H2O]7.84
  • Structure Class(es): zeolite PHI
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mP74
  • Space Group: 11
  • Phase Prototype: Na1.97Cu1.97(Al0.37Si0.63)16O32[H2O]7.84
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, ID09A (determination of structural parameters), X-rays, synchrotron; λ = 0.04145 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 71 variables, RP = 0.0941; wRP = 0.1352
  • Sample Detail(s): sample prepared from Na-exchanged phillipsite, Cu[NO3]2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.97Cu1.97Al5.92Si10.08O32[H2O]7.84
  • Alphabetic Formula: Al5.92[H2O]7.84Cu1.97Na1.97O32Si10.08
  • Published Formula: Cu2+-exchanged phillipsite
  • Refined Formula: Al5.92Cu1.95H15.68Na1.95O39.84Si10.08
  • Wyckoff Sequence: 11,f16e5
  • Z Formula Units: 1
  • Density: ρ = 2.09 Mg·m−3
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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_1239034

  • 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)

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