Inorganic Solid Phases

NaCa2Al5Si5O20·6H2O (Na4Sr0.4Ca7.6Al20Si20O80[H2O]24) Crystal Structure

General Information

  • Phase Label(s): Na4Sr0.4Ca7.6Al20Si20O80[H2O]24
  • Structure Class(es): zeolite THO
  • Classification by Properties:
  • Mineral Name(s): thomsonite-Ca
  • Pearson Symbol: oP160
  • Space Group: 52
  • Phase Prototype: Na4Sr0.48Ca7.52Al20Si20O80[H2O]24
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1808 reflections; I > 3σ(I), R = 0.035; wR = 0.039
  • Sample Detail(s): thomsonite sample from U.S.A. California, Inyo County, Death Valley, Team Canyon, electron microprobe analysis; X-ray fluorescence/atomic absorption spectroscopy; (Na4.13Ca7.08Sr0.93Ba0.01)(Fe0.03Al19.29Si20.48)O80·28.33H2O; (Na4.45K0.04Mg0.10Ca6.83Sr0.64Ba0.01)(Fe0.01Al19.19Si20.70)O80·26.83H2O, single crystal (determination of cell parameters), single crystal, 0.07×0.11×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na4Sr0.4Ca7.6Al20Si20O80[H2O]24
  • Alphabetic Formula: Al20Ca7.6[H2O]24Na4O80Si20Sr0.4
  • Published Formula: NaCa2Al5Si5O20·6H2O
  • Refined Formula: Al5Ca1.83H12Na1.08O26Si5Sr0.09
  • Wyckoff Sequence: 52,e18d2c2
  • Z Formula Units: 1
  • Density: ρ = 2.39 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_1613561

  • 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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