Inorganic Solid Phases

Na3.62K0.44Ba0.03Ca6.32Sr0.28Mg0.04[Fe3+0.01Al17.33Si54.64O144]·60H2O (K0.11Na0.91Sr0.07Ca1.58Mg0.01Al4.34Si13.66O36[H2O]12.22 rt, T = 416 K) Crystal Structure

General Information

  • Phase Label(s): K0.11Na0.91Sr0.07Ca1.58Mg0.01Al4.34Si13.66O36[H2O]12.22 rt
  • Structure Class(es): zeolite STI
  • Classification by Properties:
  • Mineral Name(s): stilbite-Ca M
  • Pearson Symbol: mS156
  • Space Group: 12
  • Phase Prototype: Na2.5Ca0.85(Al0.23Si0.77)18O36[H2O]13.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source, X7B (determination of structural parameters), X-rays, synchrotron; λ = 0.1488 nm (determination of cell and structural parameters), T = 416 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, multiphase; 88 variables, RP = 0.0655; wRP = 0.0862
  • Sample Detail(s): stilbite sample from Italy, Sardinia, Bosa area, Capo Marargiu, electron microprobe analysis; Na3.62K0.44Ba0.03Ca6.32Sr0.28Mg0.04[Fe3+0.01Al17.33Si54.64O144][H2O]60 (before heating), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.11Na0.91Sr0.07Ca1.58Mg0.01Al4.34Si13.66O36[H2O]12.22
  • Alphabetic Formula: Al4.34Ca1.58[H2O]12.22K0.11Mg0.01Na0.91O36Si13.66Sr0.07
  • Published Formula: Na3.62K0.44Ba0.03Ca6.32Sr0.28Mg0.04[Fe3+0.01Al17.33Si54.64O144]·60H2O
  • Refined Formula: Al4.32Ca1.24H24.44Na1.44O48.22Si13.68
  • Wyckoff Sequence: 12,j15i7hg
  • Z Formula Units: 2
  • Density: ρ = 2.10 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_1217310

  • 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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