Inorganic Solid Phases

Cu+-Y zeolite, Si/Al = 2.7, CO adsorbed (H2.75Cu10.25Al13Si35O96[CO]x, T = 80 K) Crystal Structure

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General Information

  • Phase Label(s): H2.75Cu10.25Al13Si35O96[CO]x
  • Structure Class(es): zeolite FAU
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF672
  • Space Group: 227
  • Phase Prototype: H2.75Cu10.25(Al0.27Si0.73)48O96[CO]x
  • Measurement Detail(s): automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, BM16 (determination of structural parameters), X-rays, synchrotron; λ = 0.062992 nm (determination of structural parameters), T = 80 K (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): carbonyl, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 47 variables, RP = 0.0822; wRP = 0.1091
  • Sample Detail(s): sample prepared from Cu+-Y zeolite, CO, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: H2.75Cu10.25Al13Si35O96[CO]x
  • Alphabetic Formula: Al13[CO]xCu10.25H2.75O96Si35
  • Published Formula: Cu+-Y zeolite, Si/Al = 2.7, CO adsorbed
  • Refined Formula: Al12.96Cu10.34O96Si35.04
  • Wyckoff Sequence: 227,ihg3e3
  • Z Formula Units: 4
  • Density: ρ = 1.57 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_1020911

  • 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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