Inorganic Solid Phases

Na7.88[Si6Al6O24](CO3)0.73(S3)0.3·1.32H2O (Na7.8Al6[SiO4]6[CO3]0.75S0.9[H2O]1.3) Crystal Structure

General Information

  • Phase Label(s): Na7.8Al6[SiO4]6[CO3]0.75S0.9[H2O]1.3
  • Structure Class(es): zeolite SOD
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP77
  • Space Group: 195
  • Phase Prototype: Na7.8Al6[SiO4]6[CO3]0.75S0.9[H2O]1.3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.1594 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, orthosilicate, sulfide, hydrate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 31 variables, RP = 0.0268; wRP = 0.0334; RB = 0.0274
  • Sample Detail(s): sample prepared from nitrite sodalite, Na2CO3, S, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na7.8Al6[SiO4]6[CO3]0.75S0.9[H2O]1.3
  • Alphabetic Formula: Al6[CO3]0.75[H2O]1.3Na7.8S0.9[SiO4]6
  • Published Formula: Na7.88[Si6Al6O24](CO3)0.73(S3)0.3·1.32H2O
  • Refined Formula: Al6C0.73H2.64Na7.88O27.50S0.73Si6
  • Wyckoff Sequence: 195,j3ihgfe4a
  • Z Formula Units: 1
  • Density: ρ = 2.26 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_1125210

  • 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