Inorganic Solid Phases

Ni30Na7Cl12Al55Si137O384 (Na1.75Ni7.5Al13.75Si34.25Cl3O96, T = 15 K) Crystal Structure

General Information

  • Phase Label(s): Na1.75Ni7.5Al13.75Si34.25Cl3O96
  • Structure Class(es): zeolite FAU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF784
  • Space Group: 227
  • Phase Prototype: Na1.75Ni7.5(Al0.29Si0.71)48Cl3O96
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Intense Pulsed Neutron Source, GPPD (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 15 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, chloride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 52 variables; 1688 reflections, RP = 0.0212; wRP = 0.0287
  • Sample Detail(s): sample prepared from NH4+-exchanged Y zeolite, NiCl2[H2O]6, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.75Ni7.5Al13.75Si34.25Cl3O96
  • Alphabetic Formula: Al13.75Cl3Na1.75Ni7.5O96Si34.25
  • Published Formula: Ni30Na7Cl12Al55Si137O384
  • Refined Formula: Al13.73Cl3Ni7.50O96Si34.27
  • Wyckoff Sequence: 227,ihg4e3c
  • Z Formula Units: 4
  • Density: ρ = 1.57 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_1001435

  • 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