Inorganic Solid Phases

(Na,Ca)7−8(Si6Al6O24)(CO3)1.2−1.7·2H2O, Si6.12Al5.88Ca0.93Na6.59K0.01Sr0.03(CO3)1.04(SO4)0.07F0.41O24(H2O)2 (Na6.6Sr0.03Ca0.93Al5.89Si0.11[SiO4]6[CO3]1.04[SO4]0.07F0.41[H2O]2) Crystal Structure

General Information

  • Phase Label(s): Na6.6Sr0.03Ca0.93Al5.89Si0.11[SiO4]6[CO3]1.04[SO4]0.07F0.41[H2O]2
  • Structure Class(es): zeolite CAN
  • Classification by Properties:
  • Mineral Name(s): cancrinite
  • Pearson Symbol: hP66
  • Space Group: 173
  • Phase Prototype: Na6Ca1.5Al6[SiO4]6[CO3]1.5[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Jülich Forschungszentrum, FRJ2-DIDO reactor, SV28 (determination of structural parameters), neutrons; λ = 0.12413 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, sulfate, orthosilicate, fluoride, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 80 variables; 382 reflections; F > 4σ(F), R = 0.0287; wR = 0.0631
  • Sample Detail(s): cancrinite sample from Cameroon, Kribi, Neende, Cam Saton, electron microprobe analysis; Si6.12Al5.88Ca0.93Na6.59K0.01Sr0.03[CO3]1.04[SO4]0.07F0.41O24[H2O]2, single crystal (determination of cell parameters), single crystal, 2.1×2.3×3.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na6.6Sr0.03Ca0.93Al5.89Si0.11[SiO4]6[CO3]1.04[SO4]0.07F0.41[H2O]2
  • Alphabetic Formula: Al5.89[CO3]1.04Ca0.93F0.41[H2O]2Na6.6[SO4]0.07Si0.11[SiO4]6Sr0.03
  • Published Formula: (Na,Ca)7−8(Si6Al6O24)(CO3)1.2−1.7·2H2O, Si6.12Al5.88Ca0.93Na6.59K0.01Sr0.03(CO3)1.04(SO4)0.07F0.41O24(H2O)2
  • Refined Formula: Al6C1.50Ca0.18H4.32Na7.82O30.66Si6
  • Wyckoff Sequence: 173,c10ba2
  • Z Formula Units: 1
  • Density: ρ = 2.41 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1223520

  • 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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