Inorganic Solid Phases

H1.99Cu+2.37Cu2+0.00MFI (H1.04Cu1.7Al3.25Si92.75O192) Crystal Structure

General Information

  • Phase Label(s): H1.04Cu1.7Al3.25Si92.75O192
  • Structure Class(es): zeolite MFI
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP312
  • Space Group: 62
  • Phase Prototype: H1.04Cu1.7(Al0.03Si0.97)96O192
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, SNBL, BM01B (determination of structural parameters), X-rays, synchrotron; λ = 0.050013 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.073; wRP = 0.084; RB = 0.062
  • Sample Detail(s): sample prepared from Cu(CH3COO)2, H-MFI, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H1.99Cu2.37Al4.36Si91.64O192
  • Alphabetic Formula: Al4.36Cu2.37H1.99O192Si91.64
  • Published Formula: H1.99Cu+2.37Cu2+0.00MFI
  • Refined Formula: Al4.32Cu2.44O192Si91.68
  • Wyckoff Sequence: 62,d36c7
  • Z Formula Units: 1
  • Density: ρ = 1.83 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1222331

  • 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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