Inorganic Solid Phases

[Si6.4Al5.6O24][Na2(H2O)2][Na5.0Ca1.0(CO3)1.7] (Na6Ca1.5Al6[SiO4]6[CO3]1.5[H2O]1.75) Crystal Structure

General Information

  • Phase Label(s): Na6Ca1.5Al6[SiO4]6[CO3]1.5[H2O]1.75
  • Structure Class(es): zeolite CAN
  • Classification by Properties:
  • Mineral Name(s): cancrinite
  • Pearson Symbol: hP62
  • Space Group: 173
  • Phase Prototype: Na6Ca1.5Al6[SiO4]6[CO3]1.5[H2O]1.8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur S (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, orthosilicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1387 reflections; I > 2σ(I), R = 0.0413; wR = 0.0866
  • Sample Detail(s): cancrinite sample from Russia, Urals, Vishnevye Mountains, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na7CaAl5.6Si6.4[CO3]1.7O24[H2O]2
  • Alphabetic Formula: Al5.6[CO3]1.7Ca[H2O]2Na7O24Si6.4
  • Published Formula: [Si6.4Al5.6O24][Na2(H2O)2][Na5.0Ca1.0(CO3)1.7]
  • Refined Formula: Al5.64C1.70Ca1.03H3.96Na6.97O31.08Si6.36
  • Wyckoff Sequence: 173,c13ba4
  • Z Formula Units: 1
  • Density: ρ = 2.47 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_1231328

  • 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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