Inorganic Solid Phases

Na5.96Ca1.52[Al6Si6O24](CO3)1.57 (Na6Ca1.5Al6[SiO4]6[CO3]1.5, T = 1164 K) Crystal Structure

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General Information

  • Phase Label(s): Na6Ca1.5Al6[SiO4]6[CO3]1.5
  • Structure Class(es): zeolite CAN
  • Classification by Properties: –
  • Mineral Name(s): cancrinite
  • Pearson Symbol: hP60
  • Space Group: 173
  • Phase Prototype: Na7.8Al6[SiO4]6[CO3]0.9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source NSLS, X7B (determination of structural parameters), X-rays, synchrotron; λ = 0.091806(5) nm (determination of cell and structural parameters), T = 1164 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): carbonate, orthosilicate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement
  • Sample Detail(s): cancrinite sample from Canada, Ontario, Bancroft, Dungannon Township, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na6Ca1.5Al6[SiO4]6[CO3]1.5
  • Alphabetic Formula: Al6[CO3]1.5Ca1.5Na6[SiO4]6
  • Published Formula: Na5.96Ca1.52[Al6Si6O24](CO3)1.57
  • Refined Formula: Al6C1.44Ca1.50Na6.02O28.32Si6
  • Wyckoff Sequence: 173,c9ba2
  • Z Formula Units: 1
  • Density: ρ = 2.29 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_1212803

  • 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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