Inorganic Solid Phases

[Si6.2Al5.8O24][Na1.90(H2O)0.18][Na4.14Ca1.44(CO3)1.57] (K0.15Na5.75Ca1.45Al5.8Si0.2[SiO4]6[CO3]1.5[H2O]0.18) Crystal Structure

General Information

  • Phase Label(s): K0.15Na5.75Ca1.45Al5.8Si0.2[SiO4]6[CO3]1.5[H2O]0.18
  • Structure Class(es): zeolite CAN
  • Classification by Properties:
  • Mineral Name(s): cancrinite
  • Pearson Symbol: hP92
  • Space Group: 173
  • Phase Prototype: K0.15Na5.75Ca1.45Al5.8Si0.2[SiO4]6[CO3]1.5[H2O]0.18
  • 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, full-matrix least-squares refinement on F2; I > 2σ(I), R = 0.0276
  • Sample Detail(s): cancrinite sample from Germany, Rhineland-Palatinate, Eifel, Laacher See, spectroscopy; Na5.5−5.8K0.1−0.2Ca1.35−1.55Al5.9−5.7Si6.1−6.3Cl0−0.2[CO3]1.5O24[H2O]n, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.15Na5.75Ca1.45Al5.8Si0.2[SiO4]6[CO3]1.5[H2O]0.18
  • Alphabetic Formula: Al5.8[CO3]1.5Ca1.45[H2O]0.18K0.15Na5.75Si0.2[SiO4]6
  • Published Formula: [Si6.2Al5.8O24][Na1.90(H2O)0.18][Na4.14Ca1.44(CO3)1.57]
  • Refined Formula: Al5.82C1.57Ca1.44H0.36Na6.04O28.88Si6.18
  • Wyckoff Sequence: 173,c13b3a4
  • Z Formula Units: 1
  • Density: ρ = 2.36 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_1127344

  • 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