Inorganic Solid Phases

Na4.04Ca7.72Sr0.32Al19.84Si20.08O80·25.69H2O (Na4Sr0.3Ca7.7Al20Si20O80[H2O]25.69 hp, p = 2.1 GPa) Crystal Structure

General Information

  • Phase Label(s): Na4Sr0.3Ca7.7Al20Si20O80[H2O]25.69 hp
  • Structure Class(es): zeolite THO
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP168
  • Space Group: 52
  • Phase Prototype: Na4Sr0.3Ca7.7Al20Si20O80[H2O]25.69
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, synchrotron; λ = 0.03675 nm (determination of cell and structural parameters), p = 2.1 GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; pressure dependence studied, Rietveld refinement; 88 variables, RP = 0.005; wRP = 0.006
  • Sample Detail(s): thomsonite sample from Iceland, Berufjördur, electron microprobe analysis; Na4.04Ca7.72Sr0.32Al19.84Si20.08O80[H2O]25.69, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na4Sr0.3Ca7.7Al20Si20O80[H2O]25.69
  • Alphabetic Formula: Al20Ca7.7[H2O]25.69Na4O80Si20Sr0.3
  • Published Formula: Na4.04Ca7.72Sr0.32Al19.84Si20.08O80·25.69H2O
  • Refined Formula: Al20Ca7.68H54.56Na4O107.28Si20Sr0.32
  • Wyckoff Sequence: 52,e19d2c2
  • 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1217089

  • 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)

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