Inorganic Solid Phases

K0.7Na6.78Ca0.05Fe0.01Al5.76Si6.24[SO4]1.01O23.91[H2O]2 Crystal Structure

General Information

  • Phase Label(s): K0.7Na6.78Ca0.05Fe0.01Al5.76Si6.24[SO4]1.01O23.91[H2O]2
  • Structure Class(es): zeolite CAN
  • Classification by Properties:
  • Mineral Name(s): vishnevite
  • Pearson Symbol: hP72
  • Space Group: 173
  • Phase Prototype: K0.7Na6.78Ca0.05Fe0.01Al5.76Si6.24[SO4]1.01O23.91[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 90 variables; 2581 reflections, R = 0.0331; wR = 0.0936
  • Sample Detail(s): vishnevite sample from Italy, Tuscany, Pitigliano, electron microprobe analysis; K0.7Na6.78Ca0.05Fe0.01Al5.76Si6.24[SO4]1.01O23.91[H2O]2, twinned crystal (determination of cell parameters), twinned crystal, 0.150×0.250×0.270 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.7Na6.78Ca0.05Fe0.01Al5.76Si6.24[SO4]1.01O23.91[H2O]2
  • Alphabetic Formula: Al5.76Ca0.05Fe0.01[H2O]2K0.7Na6.78O23.91[SO4]1.01Si6.24
  • Published Formula: K0.7Na6.78Ca0.05Fe0.01Al5.76Si6.24[SO4]1.01O23.91[H2O]2
  • Refined Formula: Al6H3.96K2.58Na3.76O29.24S0.58Si6
  • Wyckoff Sequence: 173,c11ba2
  • Z Formula Units: 1
  • Density: ρ = 2.35 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_1217090

  • 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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