Inorganic Solid Phases

(Ca7.56Mg0.06Sr0.02Na0.34K0.28)[(Al15.86Fe0.12)Si56.04O144]·56.20H2O (K0.14Na0.17Sr0.01Ca3.78Mg0.03Fe0.06Al7.93Si28.02O72[H2O]28.10) Crystal Structure

General Information

  • Phase Label(s): K0.14Na0.17Sr0.01Ca3.78Mg0.03Fe0.06Al7.93Si28.02O72[H2O]28.10
  • Structure Class(es): zeolite STI
  • Classification by Properties:
  • Mineral Name(s): stellerite
  • Pearson Symbol: oF368
  • Space Group: 69
  • Phase Prototype: K0.07Na0.09Ca1.9(Al0.22Si0.78)18O36[H2O]14.05
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI 2 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 833 reflections; I > 2σ(I), R = 0.078; wR = 0.082
  • Sample Detail(s): stellerite sample from Italy, Sardinia, Villanova-Monteleone, chemical analysis, single crystal (determination of cell parameters), single crystal, 0.32×0.36×0.80 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.07Na0.085Sr0.005Ca1.89Mg0.015Fe0.03Al3.965Si14.01O36[H2O]14.05
  • Alphabetic Formula: Al3.965Ca1.89Fe0.03[H2O]14.05K0.07Mg0.015Na0.085O36Si14.01Sr0.005
  • Published Formula: (Ca7.56Mg0.06Sr0.02Na0.34K0.28)[(Al15.86Fe0.12)Si56.04O144]·56.20H2O
  • Refined Formula: Al3.96Ca1.83Fe0.04H27.76K0.07Mg0.01Na0.08O49.88Si14Sr0
  • Wyckoff Sequence: 69,p6o4n3m2ihgf
  • Z Formula Units: 4
  • Density: ρ = 2.12 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1920417

  • 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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