Inorganic Solid Phases

Pb2+-exchanged S-CAN (Na3.8Al6Pb2[SiO4]6S0.9[H2O]3) Crystal Structure

General Information

  • Phase Label(s): Na3.8Al6Pb2[SiO4]6S0.9[H2O]3
  • Structure Class(es): zeolite CAN
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP60
  • Space Group: 173
  • Phase Prototype: Na3.8Al6Pb2[SiO4]6S0.9[H2O]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku RINT-2100 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, sulfide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.059; wRP = 0.078; RB = 0.161
  • Sample Detail(s): sample prepared from NaOH, Al[OH]3, colloidal silica, Na2S[H2O]9, Pb(CH3COO)2, X-ray fluorescence spectroscopy; Na3.8Pb2.0Al5.8Si6O23.6S[H2O]3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na3.8Al6Pb2[SiO4]6S0.9[H2O]3
  • Alphabetic Formula: Al6[H2O]3Na3.8Pb2S0.9[SiO4]6
  • Published Formula: Pb2+-exchanged S-CAN
  • Refined Formula: Al6H6.04Na4.28O27.02Pb1.80SSi6
  • Wyckoff Sequence: 173,c9b2a
  • Z Formula Units: 1
  • Density: ρ = 2.93 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1520869

  • 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