Inorganic Solid Phases

CuAPO, Cu0.175Al0.5P0.46O2 (Cu0.17Al0.47P0.45O2) Crystal Structure

General Information

  • Phase Label(s): Cu0.17Al0.47P0.45O2
  • Structure Class(es): zeolite AFI
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP72
  • Space Group: 192
  • Phase Prototype: (Al0.5P0.5)O2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, SNBL (determination of structural parameters), X-rays, synchrotron; λ = 0.05 nm (determination of cell parameters), X-rays, synchrotron; λ = 0.05000 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): phosphate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 49 variables; 385 reflections, RP = 0.0273; wRP = 0.0378
  • Sample Detail(s): sample prepared from CuO, H3PO4, AlOOH, TEAOH, tetraethylammonium hydroxide, chemical analysis; 6.93 wt.% Cu, Cu0.175Al0.5P0.46O2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu0.18Al0.48P0.44O2
  • Alphabetic Formula: Al0.48Cu0.18O2P0.44
  • Published Formula: CuAPO, Cu0.175Al0.5P0.46O2
  • Refined Formula: Al0.48Cu0.08O2P0.44
  • Wyckoff Sequence: 192,mlk2j
  • Z Formula Units: 24
  • 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1520858

  • 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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